Publikationer av Yi Luo
Refereegranskade
Artiklar
[1]
J. Shen et al., "First-Principles Observation of Bonded 2D B4C3 Bilayers," ACS Omega, vol. 6, no. 20, s. 13218-13224, 2021.
[2]
J. Li och Y. Luo, "The correct assignment of vibrationally-resolved absorption spectra of protonated anthracene isomers," Spectrochimica Acta Part A - Molecular and Biomolecular Spectroscopy, vol. 244, 2021.
[3]
Z. Xie et al., "Finding the true pathway for reversible isomerization of a single azobenzene molecule tumbling on Au(111) surface," Nanoscale, vol. 12, no. 19, s. 10474-10479, 2020.
[4]
Y. Ji et al., "First-Principles Study on the Molecular Mechanism of Solar-Driven CO2 Reduction on H-Terminated Si," ChemSusChem, vol. 13, no. 13, s. 3524-3529, 2020.
[5]
Y. Ji, T. Fan och Y. Luo, "First-principles study on the mechanism of photocatalytic reduction of nitrobenzene on the rutile TiO2(110) surface," Physical Chemistry, Chemical Physics - PCCP, vol. 22, no. 3, s. 1187-1193, 2020.
[6]
T. Chen, Y. Luo och A. Li, "Fragmentation and isomerization of polycyclic aromatic hydrocarbons in the interstellar medium : Coronene as a case study," Astronomy and Astrophysics, vol. 633, 2020.
[7]
Y. Zhang et al., "Mechanism Study of Molecular Deformation of 2,2 ',5 ',2 ''-Tetramethylated p-Terphenyl-4,4 ''-dithiol Trapped in Gold Junctions," The Journal of Physical Chemistry Letters, vol. 11, no. 11, s. 4456-4461, 2020.
[8]
X. Cao et al., "Spin Polarization-Induced Facile Dioxygen Activation in Boron-Doped Graphitic Carbon Nitride," ACS Applied Materials and Interfaces, vol. 12, no. 47, s. 52741-52748, 2020.
[9]
B. Wu et al., "The Effect of the Polyaromatic Hydrocarbon in the Formation of Fullerenes," Angewandte Chemie International Edition, vol. 59, no. 10, s. 3942-3947, 2020.
[10]
Y. Ji och Y. Luo, "Direct Donation of Protons from H2O to CO2 in Artificial Photosynthesis on the Anatase TiO2(101) Surface," The Journal of Physical Chemistry C, vol. 123, no. 5, s. 3019-3023, 2019.
[11]
T. Chen och Y. Luo, "Formation of polyynes and ring-polyyne molecules following fragmentation of polycyclic aromatic hydrocarbons," Monthly notices of the Royal Astronomical Society, vol. 486, no. 2, s. 1875-1881, 2019.
[12]
Y. Ma et al., "Local structures of nitrogen doped graphdiynes determined by computational X-ray spectroscopy," Carbon, vol. 149, s. 672-678, 2019.
[13]
Z. Xie et al., "Monitoring Hydrogen/Deuterium Tautomerization in Transient Isomers of Single Porphine by Highly Localized Plasmonic Field," The Journal of Physical Chemistry C, vol. 123, no. 17, s. 11081-11093, 2019.
[14]
X. Li et al., "On the Mechanism for the Extremely Efficient Sensitization of Yb3+ Luminescence in CsPbCl3 Nanocrystals," The Journal of Physical Chemistry Letters, vol. 10, no. 3, s. 487-492, 2019.
[15]
T. Chen, Y. Luo och A. Li, "The infrared bands of polycyclic aromatic hydrocarbons in the 1.6-1.7 mu m wavelength region," Astronomy and Astrophysics, vol. 632, 2019.
[16]
W. Hu et al., "Tunable Single-Photon Emission by Defective Boron-Nitride Nanotubes for High-Precision Force Detection," The Journal of Physical Chemistry C, vol. 123, no. 14, s. 9624-9628, 2019.
[17]
J. Li, Y. Luo och J. Zhang, "A theoretical study on vibronic spectra and photo conversation process of protonated naphthalenes," Spectrochimica Acta Part A - Molecular and Biomolecular Spectroscopy, vol. 205, s. 520-527, 2018.
[18]
Z. Xie et al., "Theoretical modeling of tip-enhanced resonance Raman images of switchable azobenzene molecules on Au(111)," Nanoscale, vol. 10, no. 25, s. 11850-11860, 2018.
[19]
J. Liu et al., "Ultrathin amorphous cobalt-vanadium hydr(oxy)oxide catalysts for the oxygen evolution reaction," Energy & Environmental Science, vol. 11, no. 7, s. 1736-1741, 2018.
[20]
S. Tan et al., "Visualizing Elementary Reactions of Methanol by Electrons and Holes on TiO2(110) Surface," The Journal of Physical Chemistry C, vol. 122, no. 50, s. 28805-28814, 2018.
[21]
R. Zhang et al., "Distinguishing Individual DNA Bases in a Network by Non-Resonant Tip-Enhanced Raman Scattering," Angewandte Chemie International Edition, vol. 56, no. 20, s. 5561-5564, 2017.
[22]
S. Duan et al., "Gauge invariant theory for super high resolution Raman images," Journal of Chemical Physics, vol. 146, no. 19, 2017.
[23]
H. Li, J. Jiang och Y. Luo, "Identification of the protonation site of gaseous triglycine : the cis-peptide bond conformation as the global minimum," Physical Chemistry, Chemical Physics - PCCP, vol. 19, no. 23, s. 15030-15038, 2017.
[24]
W. Hu et al., "Identifying the structure of 4-chlorophenyl isocyanide adsorbed on Au(111) and Pt(111) surfaces by first-principles simulations of Raman spectra," Physical Chemistry, Chemical Physics - PCCP, vol. 19, no. 48, s. 32389-32397, 2017.
[25]
Z. Xie et al., "Lighting up long-range charge-transfer states by a localized plasmonic field," Nanoscale, vol. 9, no. 46, s. 18189-18193, 2017.
[26]
W. Hu, S. Duan och Y. Luo, "Theoretical modeling of surface and tip-enhanced Raman spectroscopies," WIREs Computational Molecular Science, vol. 7, no. 2, 2017.
[27]
C. Song et al., "Theoretical simulations for vibrationally-resolved absorption spectra of naphthalenediimide cyclophane derivatives," Spectrochimica Acta Part A - Molecular and Biomolecular Spectroscopy, vol. 183, s. 339-347, 2017.
[28]
L. Liu et al., "Uniform and perfectly linear current-voltage characteristics of nitrogen-doped armchair graphene nanoribbons for nanowires," Physical Chemistry, Chemical Physics - PCCP, vol. 19, no. 1, s. 44-48, 2017.
[29]
H. Jiang, Z. Hou och Y. Luo, "Unraveling the Mechanism for the Sharp-Tip Enhanced Electrocatalytic Carbon Dioxide Reduction : The Kinetics Decide," Angewandte Chemie International Edition, vol. 56, no. 49, s. 15617-15621, 2017.
[30]
X. Li et al., "Effects of domain size on x-ray absorption spectra of boron nitride doped graphenes," Applied Physics Letters, vol. 109, no. 8, 2016.
[31]
Y. Ai et al., "Hydrophobicity and Hydrophilicity Balance Determines Shape Selectivity of Suzuki Coupling Reactions Inside Pd@meso-SiO2 Nanoreactor," The Journal of Physical Chemistry C, vol. 120, no. 19, s. 10244-10251, 2016.
[32]
Y. Ji och Y. Luo, "New Mechanism for Photocatalytic Reduction of CO2 on the Anatase TiO2(101) Surface : The Essential Role of Oxygen Vacancy," Journal of the American Chemical Society, vol. 138, no. 49, s. 15896-15902, 2016.
[33]
B.-Y. Wang et al., "Nonlinear bandgap opening behavior of BN co-doped graphene," Carbon, vol. 107, s. 857-864, 2016.
[34]
Z.-Y. Gong et al., "Optical Excitation in Donor-Pt-Acceptor Complexes : Role of the Structure," Journal of Physical Chemistry A, vol. 120, no. 20, s. 3547-3553, 2016.
[35]
H. Ren et al., "Strong Fermi level pinning induces a high rectification ratio and negative differential resistance in hydrogen bonding bridged single cytidine pair junctions," Physical Chemistry, Chemical Physics - PCCP, vol. 18, no. 38, s. 26586-26594, 2016.
[36]
Y. Ji och Y. Luo, "Structure-dependent photocatalytic decomposition of formic acid on the anatase TiO2(101) surface and strategies to increase its reaction rate," Journal of Power Sources, vol. 306, s. 208-212, 2016.
[37]
W. Hua et al., "Study of double core hole excitations in molecules by X-ray double-quantum-coherence signals : a multi-configuration simulation," Chemical Science, vol. 7, no. 9, s. 5922-5933, 2016.
[38]
X.-N. Song et al., "Theoretical Identification of Three C-66 Fullerene Isomers and Related Chlorinated Derivatives by X-ray Photoelectron Spectroscopy and Near-edge X-ray Absorption Fine Structure Spectroscopy," JOURNAL OF PHYSICAL CHEMISTRY A, vol. 120, no. 50, s. 9932-9940, 2016.
[39]
G.-W. Wang et al., "Theoretical Isomer Identification of Three C-56 Fullerenes and Their Chlorinated Derivatives by XPS and NEXAFS Spectra," The Journal of Physical Chemistry C, vol. 120, no. 25, s. 13779-13786, 2016.
[40]
Y. Ji och Y. Luo, "Theoretical Study on the Mechanism of Photoreduction of CO2 to CH4 on the Anatase TiO2(101) Surface," ACS Catalysis, vol. 6, no. 3, s. 2018-2025, 2016.
[41]
G. Wang et al., "Theoretical identification of C34 isomers by XPS and NEXAFS spectra," Chemical Physics Letters, vol. 644, s. 111-116, 2016.
[42]
S. Duan, G. Tian och Y. Luo, "Theory for Modeling of High Resolution Resonant and Nonresonant Raman Images," Journal of Chemical Theory and Computation, vol. 12, no. 10, s. 4986-4995, 2016.
[43]
X.-F. Li et al., "Unraveling the formation mechanism of graphitic nitrogen-doping in thermally treated graphene with ammonia," Scientific Reports, vol. 6, 2016.
[44]
S. Duan, G. Tian och Y. Luo, "Visualization of Vibrational Modes in Real Space by Tip-Enhanced Non-Resonant Raman Spectroscopy," Angewandte Chemie International Edition, vol. 55, no. 3, s. 1041-1045, 2016.
[45]
J. Ge et al., "Bringing light into the dark triplet space of molecular systems," Physical Chemistry, Chemical Physics - PCCP, vol. 17, no. 19, s. 13129-13136, 2015.
[46]
X. Cao, Y. Ji och Y. Luo, "Dehydrogenation of Propane to Propylene by a Pd/Cu Single-Atom Catalyst : Insight from First-Principles Calculations," The Journal of Physical Chemistry C, vol. 119, no. 2, s. 1016-1023, 2015.
[47]
X. Li et al., "Electronic Structure of Nitrogen-Doped Graphene in the Ground and Core-Excited States from First-Principles Simulations," The Journal of Physical Chemistry C, vol. 119, no. 29, s. 16660-16666, 2015.
[48]
X.-F. Li et al., "Half-filled energy bands induced negative differential resistance in nitrogen-doped graphene," Nanoscale, vol. 7, no. 9, s. 4156-4162, 2015.
[49]
D. K. Bora et al., "Influence of crystal structure, ligand environment and morphology on Co L-edge XAS spectral characteristics in cobalt compounds," Journal of Synchrotron Radiation, vol. 22, s. 1450-1458, 2015.
[50]
Z. Gong et al., "Infrared spectra of small anionic water clusters from density functional theory and wavefunction theory calculations," Physical Chemistry, Chemical Physics - PCCP, vol. 17, no. 19, s. 12698-12707, 2015.
[51]
B. Xu et al., "Integrated Design of Organic Hole Transport Materials for Efficient Solid-State Dye-Sensitized Solar Cells," Advanced Energy Materials, vol. 5, no. 3, 2015.
[52]
W. Hu et al., "Molecular Design to Enhance the Thermal Stability of a Photo Switchable Molecular Junction Based on Dimethyldihydropyrene and Cyclophanediene Isomerization," The Journal of Physical Chemistry C, vol. 119, no. 21, s. 11468-11474, 2015.
[53]
K. Diller et al., "Polyphenylsilole multilayers - an insight from X-ray electron spectroscopy and density functional theory," Physical Chemistry, Chemical Physics - PCCP, vol. 17, no. 46, s. 31117-31124, 2015.
[54]
W. Hu et al., "Quasi-Analytical Approach for Modeling of Surface-Enhanced Raman Scattering," The Journal of Physical Chemistry C, vol. 119, no. 52, s. 28992-28998, 2015.
[55]
S. X. Tian och Y. Luo, "Reply to "Comment on 'Coherent interference in the resonant dissociative electron attachment to carbon monoxide'"," Physical Review A. Atomic, Molecular, and Optical Physics, vol. 91, no. 5, 2015.
[56]
Z. Gong et al., "Significant Contributions of the Albrecht’s A Term to Nonresonant Raman Scattering Processes," Journal of Chemical Theory and Computation, vol. 11, no. 11, s. 5385-5390, 2015.
[57]
G. Tian et al., "The effect of Duschinsky rotation on charge transport properties of molecular junctions in the sequential tunneling regime," Physical Chemistry, Chemical Physics - PCCP, vol. 17, no. 35, s. 23007-23016, 2015.
[58]
S. Duan et al., "Theoretical Modeling of Plasmon-Enhanced Raman Images of a Single Molecule with Subnanometer Resolution," Journal of the American Chemical Society, vol. 137, no. 30, s. 9515-9518, 2015.
[59]
J. Li et al., "Theoretical studies on the vibrationally-resolved absorption and fluorescence spectra of H-Pyrene(+) and H-Coronene(+)," Chemical Physics Letters, vol. 641, s. 57-61, 2015.
[60]
W. Hu et al., "Vibrational identification for conformations of trans-1,2-bis (4-pyridyl) ethylene in gold molecular junctions," Chemical Physics, vol. 453-454, s. 20-25, 2015.
[61]
B. Wu et al., "Visible-Light Photoexcited Electron Dynamics of Scandium Endohedral Metallofullerenes : The Cage Symmetry and Substituent Effects," Journal of the American Chemical Society, vol. 137, no. 27, s. 8769-8774, 2015.
[62]
Y. Ji, B. Wang och Y. Luo, "A Comparative Theoretical Study of Proton-Coupled Hole Transfer for H2O and Small Organic Molecules (CH3OH, HCOOH, H2CO) on the Anatase TiO2(101) Surface," The Journal of Physical Chemistry C, vol. 118, no. 37, s. 21457-21462, 2014.
[63]
H. Li, Z. Lin och Y. Luo, "A Fragment Based Step-by-Step Strategy for Determining the Most Stable Conformers of Biomolecules," Chemical Physics Letters, vol. 610, s. 303-309, 2014.
[64]
Y. Deng et al., "A comparative theoretical study on core-hole excitation spectra of azafullerene and its derivatives," Journal of Chemical Physics, vol. 140, no. 12, s. 124304, 2014.
[65]
Z. Li-Juan et al., "A novel water layer structure inside nanobubbles at room temperature," NUCL SCI TECH, vol. 25, no. 6, s. 060503, 2014.
[66]
X. Cao, Q. Fu och Y. Luo, "Catalytic activity of Pd-doped Cu nanoparticles for hydrogenation as a single-atom-alloy catalyst," Physical Chemistry, Chemical Physics - PCCP, vol. 16, no. 18, s. 8367-8375, 2014.
[67]
X.-F. Li och Y. Luo, "Conductivity of carbon-based molecular junctions from ab-initio methods," Frontiers of Physics, vol. 9, no. 6, s. 748-759, 2014.
[68]
C. Tan et al., "Direct Determination of Resonance Energy Transfer in Photolyase : Structural Alignment for the Functional State," Journal of Physical Chemistry A, vol. 118, no. 45, s. 10522-10530, 2014.
[69]
A. Segerie et al., "Effects of the basis set and of the exchange-correlation functional on the Inelastic Electron Tunneling signatures of 1,4-benzenedithiol," Spectrochimica Acta Part A - Molecular and Biomolecular Spectroscopy, vol. 119, s. 34-41, 2014.
[70]
X. Cao et al., "Feasible Catalytic Strategy for Writing Conductive Nanoribbons on a Single-Layer Graphene Fluoride," The Journal of Physical Chemistry C, vol. 118, no. 39, s. 22643-22648, 2014.
[71]
Y. Ji och Y. Luo, "First-Principles Study on the Mechanism of Photoselective Catalytic Reduction of NO by NH3 on Anatase TiO2(101) Surface," The Journal of Physical Chemistry C, vol. 118, no. 12, s. 6359-6364, 2014.
[72]
L. Lin et al., "First-principles investigations on the anisotropic charge transport in 4,4 '-bis((E)-2-(naphthalen-2-yl)vinyl)-1,1 '-biphenyl single crystal," Theoretical Chemistry accounts, vol. 133, no. 9, s. 1551, 2014.
[73]
Y. Ji, B. Wang och Y. Luo, "GGA plus U Study on the Mechanism of Photodecomposition of Water Adsorbed on Rutile TiO2(110) Surface : Free vs Trapped Hole," The Journal of Physical Chemistry C, vol. 118, no. 2, s. 1027-1034, 2014.
[74]
H. Li, Z. Lin och Y. Luo, "Gas-phase IR spectroscopy of deprotonated amino acids : Global or Local minima?," Chemical Physics Letters, vol. 598, s. 86-90, 2014.
[75]
S. Shi et al., "Hybrid Interface States and Spin Polarization at Ferromagnetic Metal-Organic Heterojunctions : Interface Engineering for Efficient Spin Injection in Organic Spintronics," Advanced Functional Materials, vol. 24, no. 30, s. 4812-4821, 2014.
[76]
S. Ma et al., "In situ and real-time sfg measurements revealing organization and transport of cholesterol analogue 6-ketocholestanol in a cell membrane," The Journal of Physical Chemistry Letters, vol. 5, no. 3, s. 419-424, 2014.
[77]
G. Tian och Y. Luo, "Isomer-Dependent Franck-Condon Blockade in Weakly Coupled Bipyridine Molecular Junctions," The Journal of Physical Chemistry C, vol. 118, no. 27, s. 14853-14859, 2014.
[78]
H. Ding et al., "Maximizing Integrated Optical and Electrical Properties of a Single ZnO Nanowire through Native Interfacial Doping," Advanced Materials, vol. 26, no. 19, s. 3035-3041, 2014.
[79]
C. K. Xu et al., "Nonlinear inelastic electron scattering revealed by plasmon-enhanced electron energy-loss spectroscopy," Nature Physics, vol. 10, no. 10, s. 753-757, 2014.
[80]
I. Y. Zhang et al., "RRS-PBC : a molecular approach for periodic systems," Science China Chemistry, vol. 57, no. 10, s. 1399-1404, 2014.
[81]
L. Li et al., "Reversible Modification of CdSe-CdS/ZnS Quantum Dot Fluorescence by Surrounding Ca2+ Ions," The Journal of Physical Chemistry C, vol. 118, no. 19, s. 10424-10433, 2014.
[82]
S. Duan et al., "Roles of Plasmonic Excitation and Protonation on Photoreactions of p-Aminobenzenethiol on Ag Nanoparticles," The Journal of Physical Chemistry C, vol. 118, no. 13, s. 6893-6902, 2014.
[83]
B. Gao, K. Ruud och Y. Luo, "Shape-Dependent Electronic Excitations in Metallic Chains," The Journal of Physical Chemistry C, vol. 118, no. 24, s. 13059-13069, 2014.
[84]
X. Cao och Y. Luo, "Study of the Electronic and Optical Properties of Hybrid Triangular (BN)(x)C-y Foams," The Journal of Physical Chemistry C, vol. 118, no. 38, s. 22181-22187, 2014.
[85]
H. Li, Z. Lin och Y. Luo, "The Role of Dimerization on the Structure Transformation of Arginine in Gas Phase," Chemical Physics Letters, vol. 608, s. 398-403, 2014.
[86]
Y. Ma et al., "The equilibrium geometry of A@C60 : A test case for conventional density functional theory," Chemical Physics Letters, vol. 591, s. 312-316, 2014.
[87]
X.-F. Li, Q. Qiu och Y. Luo, "Tuning electron transport through a single molecular junction by bridge modification," Journal of Applied Physics, vol. 116, no. 1, s. 013701, 2014.
[88]
K.-Y. Lian et al., "Tuning electronic and magnetic properties of armchair vertical bar zigzag hybrid graphene nanoribbons by the choice of supercell model of grain boundaries," Journal of Applied Physics, vol. 115, no. 10, s. 104303, 2014.
[89]
G. Fronzoni et al., "Vibrationally resolved high-resolution NEXAFS and XPS spectra of phenanthrene and coronene," Journal of Chemical Physics, vol. 141, no. 4, s. 044313, 2014.
[90]
Q. Fu och Y. Luo, "Active sites of Pd-doped flat and stepped Cu(111) surfaces for H 2 dissociation in heterogeneous catalytic hydrogenation," ACS Catalysis, vol. 3, no. 6, s. 1245-1252, 2013.
[91]
K.-Y. Lian et al., "Big Bandgap in Highly Reduced Graphene Oxides," The Journal of Physical Chemistry C, vol. 117, no. 12, s. 6049-6054, 2013.
[92]
L. Li et al., "Blinking, Flickering, and Correlation in Fluorescence of Single Colloidal CdSe Quantum Dots with Different Shells under Different Excitations," The Journal of Physical Chemistry C, vol. 117, no. 9, s. 4844-4851, 2013.
[93]
Q. Fu och Y. Luo, "Catalytic Activity of Single Transition-Metal Atom Doped in Cu(111) Surface for Heterogeneous Hydrogenation," The Journal of Physical Chemistry C, vol. 117, no. 28, s. 14618-14624, 2013.
[94]
R. Zhang et al., "Chemical mapping of a single molecule by plasmon-enhanced Raman scattering," Nature, vol. 498, no. 7452, s. 82-86, 2013.
[95]
A. Mohammed et al., "Cluster approximations of chemically enhanced molecule-surface Raman spectra : The case of trans-1,2-bis (4-pyridyl) ethylene (BPE) on gold," Chemical Physics Letters, vol. 581, s. 70-73, 2013.
[96]
S. X. Tian et al., "Coherent interference in the resonant dissociative electron attachment to carbon monoxide," Physical Review A. Atomic, Molecular, and Optical Physics, vol. 88, no. 1, s. 012708, 2013.
[97]
S. Duan et al., "Density functional theory study on the adsorption and decomposition of the formic acid catalyzed by highly active mushroom-like Au@Pd@Pt tri-metallic nanoparticles," Physical Chemistry, Chemical Physics - PCCP, vol. 15, no. 13, s. 4625-4633, 2013.
[98]
L. Lin, J. Jiang och Y. Luo, "Elastic and inelastic electron transport in metal-molecule(s)-metal junctions," Physica. E, Low-Dimensional systems and nanostructures, vol. 47, s. 167-187, 2013.
[99]
W. Hua et al., "Fe L-Edge X-ray Absorption Spectra of Fe(II) Polypyridyl Spin Crossover Complexes from Time-Dependent Density Functional Theory," Journal of Physical Chemistry A, vol. 117, no. 51, s. 14075-14085, 2013.
[100]
Y. Ji, B. Wang och Y. Luo, "First principles study of O2 adsorption on reduced rutile TiO2-(110) surface under UV illumination and its role on CO oxidation," The Journal of Physical Chemistry C, vol. 117, no. 2, s. 956-961, 2013.
[101]
G. Tian och Y. Luo, "Fluorescence and Phosphorescence of Single C60 Molecules as Stimulated by a Scanning Tunneling Microscope," Angewandte Chemie International Edition, vol. 52, no. 18, s. 4814-4817, 2013.
[102]
K. Lin et al., "Identification of Free OH and its Implication on Structural Changes of Liquid Water," Chinese Journal of Chemical Physics, vol. 26, no. 2, s. 121-126, 2013.
[103]
Q. Fu, X. Cao och Y. Luo, "Identification of the Scaling Relations for Binary Noble-Metal Nanoparticles," The Journal of Physical Chemistry C, vol. 117, no. 6, s. 2849-2854, 2013.
[104]
K. Lin et al., "Quantum Effects on Global Structure of Liquid Water," Chinese Journal of Chemical Physics, vol. 26, no. 2, s. 127-132, 2013.
[105]
Y.-J. Ai, G. Tian och Y. Luo, "Role of non-Condon vibronic coupling and conformation change on two-photon absorption spectra of green fluorescent protein," Molecular Physics, vol. 111, no. 9-11, s. 1316-1321, 2013.
[106]
Y. Wang et al., "Role of point defects on the reactivity of reconstructed anatase titanium dioxide (001) surface," Nature Communications, vol. 4, s. 2214, 2013.
[107]
Q. Zhang et al., "The Realistic Domain Structure of As-Synthesized Graphene Oxide from Ultrafast Spectroscopy," Journal of the American Chemical Society, vol. 135, no. 33, s. 12468-12474, 2013.
[108]
A. Segerie et al., "Theoretical Insight into the Inelastic Electron Tunneling Spectra of an Anil Derivative," Journal of Physical Chemistry A, vol. 117, no. 48, s. 12783-12795, 2013.
[109]
S. Duan et al., "Thermal effects on electronic properties of CO/Pt(111) in water," Physical Chemistry, Chemical Physics - PCCP, vol. 15, no. 32, s. 13619-13627, 2013.
[110]
K. Zhang et al., "Direct writing of electronic devices on graphene oxide by catalytic scanning probe lithography," Nature Communications, vol. 3, s. 1194, 2012.
[111]
X. Song et al., "Effects of Protonation, Hydrogen Bonding, and Photodamaging on X-ray Spectroscopy of the Amine Terminal Group in Aminothiolate Monolayers," The Journal of Physical Chemistry C, vol. 116, no. 23, s. 12649-12654, 2012.
[112]
L. Zhang et al., "Electronic band structure of graphene from resonant soft x-ray spectroscopy : The role of core-hole effects," Physical Review B. Condensed Matter and Materials Physics, vol. 86, no. 24, s. 245430, 2012.
[113]
M. Kapilashrami et al., "Electronic structure of room-temperature ferromagnetic Mg1-xFexOy thin films," Applied Physics Letters, vol. 101, no. 8, s. 082411, 2012.
[114]
X.-F. Li et al., "Electronic transport through zigzag/armchair graphene nanoribbon heterojunctions," Journal of Physics : Condensed Matter, vol. 24, no. 9, s. 095801, 2012.
[115]
L. Bondesson et al., "Erratum to : Basis set dependence of solute-solvent interaction energy of benzene in waterA HF/DFT study (vol 29, pg 1725, 2008)," Journal of Computational Chemistry, vol. 33, no. 3, s. 354-354, 2012.
[116]
J. Liu et al., "Fabrication of Graphene Nanomesh and Improved Chemical Enhancement for Raman Spectroscopy," The Journal of Physical Chemistry C, vol. 116, no. 29, s. 15741-15746, 2012.
[117]
H. Li et al., "First-Principles Study on Core-Level Spectroscopy of Arginine in Gas and Solid Phases," Journal of Physical Chemistry B, vol. 116, no. 42, s. 12641-12650, 2012.
[118]
S. Duan et al., "Hybrid molecular dynamics and first-principles study on the work function of a Pt(111) electrode immersed in aqueous solution at room temperature," Physical Review B. Condensed Matter and Materials Physics, vol. 86, no. 4, s. 045450, 2012.
[119]
H.-B. Li, Z.-J. Lin och Y. Luo, "Local Structures and Chemical Properties of Deprotonated Arginine," Chinese Journal of Chemical Physics, vol. 25, no. 6, s. 681-686, 2012.
[120]
Y. Ji, B. Wang och Y. Luo, "Location of Trapped Hole on Rutile-TiO2(110) Surface and Its Role in Water Oxidation," The Journal of Physical Chemistry C, vol. 116, no. 14, s. 7863-7866, 2012.
[121]
Z. Luo et al., "Photoassisted Magnetization of Fullerene C-60 with Magnetic-Field Trapped Raman Scattering," Journal of the American Chemical Society, vol. 134, no. 2, s. 1130-1135, 2012.
[122]
B. Gao, K. Ruud och Y. Luo, "Plasmon resonances in linear noble-metal chains," Journal of Chemical Physics, vol. 137, no. 19, s. 194307, 2012.
[123]
K. Lin et al., "Reorientation dynamics in liquid alcohols from Raman spectroscopy," Journal of Raman Spectroscopy, vol. 43, s. 82-88, 2012.
[124]
X. Chen et al., "Spectral character of intermediate state in solid-state photoarrangement of alpha-santonin," Chemical Physics, vol. 405, s. 40-45, 2012.
[125]
K.-Y. Lian et al., "Stable High-Energy Density Super-Atom Clusters of Aluminum Hydride," Chinese Journal of Chemical Physics, vol. 25, no. 2, s. 147-152, 2012.
[126]
X.-F. Li et al., "Strong current polarization and negative differential resistance in chiral graphene nanoribbons with reconstructed (2,1)-edges," Applied Physics Letters, vol. 101, no. 7, s. 073101, 2012.
[127]
X. Song et al., "Theoretical Study of Core Excitations of Fullerene-Based Polymer Solar Cell Acceptors," The Journal of Physical Chemistry C, vol. 116, no. 45, s. 23938-23944, 2012.
[128]
L. Lin et al., "Theoretical insights into the charge transport in perylene diimides based n-type organic semiconductors," Organic electronics, vol. 13, no. 11, s. 2763-2772, 2012.
[129]
Y.-J. Ai et al., "Theoretical studies on the isomerization mechanism of the ortho-green fluorescent protein chromophore," Physical Chemistry, Chemical Physics - PCCP, vol. 14, no. 38, s. 13409-13414, 2012.
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S. Kashtanov et al., "Chemical and electronic structures of liquid methanol from x-ray emission spectroscopy and density functional theory.," Physical Review B. Condensed Matter and Materials Physics, vol. 71, no. 10, 2005.
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B. Brena et al., "Conformation dependence of electronic structures of poly(ethylene oxide)," Journal of Physical Chemistry B, vol. 109, no. 16, s. 7907-7914, 2005.
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Y. Alfredsson et al., "Electronic structure of a vapor-deposited metal-free phthalocyanine thin film," Journal of Chemical Physics, vol. 122, no. 21, 2005.
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N. Hellgren et al., "Electronic structure of carbon nitride thin films studied by X-ray spectroscopy techniques," Thin Solid Films, vol. 471, no. 02-jan, s. 19-34, 2005.
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J. Jun, L. Wei och Y. Luo, "Electronic structures and transportation properties of sub-60 nm long single-walled carbon nanotubes," Chemical Physics Letters, vol. 416, no. 06-apr, s. 272-276, 2005.
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Y. Fu, O. Engström och Y. Luo, "Emission rates for electron tunneling from InAs quantum dots to GaAs substrate (vol 96, pg 6477, 2004)," Journal of Applied Physics, vol. 98, no. 5, s. 059901, 2005.
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J. Jiang et al., "First-principles simulations of inelastic electron tunneling spectroscopy of molecular electronic devices," Nano letters (Print), vol. 5, no. 8, s. 1551-1555, 2005.
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B. Brena, S. Carniato och Y. Luo, "Functional and basis set dependence of K-edge shake-up spectra of molecules," Journal of Chemical Physics, vol. 122, no. 18, s. 184316, 2005.
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S. Carniato et al., "Hybrid density-functional theory calculations of near-edge x-ray absorption fine-structure spectra : Applications on benzonitrile in gas phase," Physical Review A. Atomic, Molecular, and Optical Physics, vol. 71, no. 2, 2005.
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Z. L. Li et al., "Influence of external voltage on electronic transport properties of molecular junctions : the nonlinear transport behaviour," Chinese Physics, vol. 14, no. 5, s. 1036-1040, 2005.
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B. X. Mi et al., "Making silole photovoltaically active by attaching carbazolyl donor groups to the silolyl acceptor core," Chemical Communications, no. 28, s. 3583-3585, 2005.
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H. Ågren, Y. Tu och Y. Luo, "Modelling nonlinear optical effects in guest-host systems," Chinese Optics Letters (COL), vol. 3, no. Suppl., s. S17-S22, 2005.
[279]
S. Carniato et al., "N-K near edge x-ray absorption fine structures of acetonitrile in gas phase," Journal of Chemical Physics, vol. 123, no. 21, s. 214301, 2005.
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L. Y. Zhao et al., "Nanotubes from isomeric dibenzoylmethane molecules," Chemistry - A European Journal, vol. 11, no. 12, s. 3773-3778, 2005.
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V. Felicissimo et al., "Probing weak molecular orbital interactions in non-conjugated diene molecules by means of near-edge X-ray absorption spectroscopy," Journal of Physical Chemistry A, vol. 109, no. 33, s. 7385-7395, 2005.
[282]
W. Su, J. Jiang och Y. Luo, "Quantum chemical study of coherent electron transport in oligophenylene molecular junctions of different lengths," Chemical Physics Letters, vol. 412, no. 4-6, s. 406-410, 2005.
[283]
K. Zhao et al., "Resonant propagation of femtosecond laser pulse in DBASVP molecule : one-dimensional asymmetric organic molecule," Chinese Physics, vol. 14, no. 10, s. 2014-2018, 2005.
[284]
S. Carniato och Y. Luo, "Role of differential correlation energy in core ionization of pyrrole and pyridine," Journal of Electron Spectroscopy and Related Phenomena, vol. 142, no. 2, s. 163-171, 2005.
[285]
Y. S. Zhao et al., "Single crystalline submicrotubes from small organic molecules," Chemistry of Materials, vol. 17, no. 25, s. 6430-6435, 2005.
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Y. Wang et al., "Solvent effects on the vibronic one-photon absorption profiles of dioxaborine heterocycles," Journal of Chemical Physics, vol. 123, no. 19, s. 194311-1-194311-7, 2005.
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G. Yu et al., "Structures, electronic states, photoluminescence, and carrier transport properties of 1,1-disubstituted 2,3,4,5-tetraphenylsiloles," Journal of the American Chemical Society, vol. 127, no. 17, s. 6335-6346, 2005.
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K. Zhao et al., "Studies on two-photon absorption cross-sections of 1,4-dimethoxy-2,5-divinyl-benzene derivatives," Wuli xuebao, vol. 54, no. 6, s. 2662-2668, 2005.
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J. H. Guo et al., "The interaction of cations and liquid water studied by resonant soft-X-ray absorption and emission spectroscopy," Journal of Electron Spectroscopy and Related Phenomena, vol. 144, s. 287-290, 2005.
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Y. H. Sun et al., "Theoretical studies on nonlinear optical properties of two newly synthesized compounds : EPVPC and OPVPC," Chinese Physics, vol. 14, no. 1, s. 115-119, 2005.
[291]
P. Cronstrand et al., "Time-dependent density-functional theory calculations of triplet-triplet absorption," Journal of Chemical Physics, vol. 122, no. 22, 2005.
[292]
Y. Wang, C. Wang och Y. Luo, "Vibrational contributions to nonlinear optical properties of methanol, ethanol and propanol," Journal of Molecular Structure : THEOCHEM, vol. 717, no. 1-3, s. 223-230, 2005.
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J. Söderström et al., "X-ray yield and selectively excited X-ray emission spectra of atenolol and nadolol," Journal of Electron Spectroscopy and Related Phenomena, vol. 144, s. 283-285, 2005.
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J. Birgerson et al., "A study of the electronic structure of ethylenedioxythiophene in gas phase using NEXAFS and quantum chemical calculations," Chemical Physics Letters, vol. 392, no. 1-3, s. 100-104, 2004.
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P. Cronstrand et al., "Density functional response theory calculations of three-photon absorption," Journal of Chemical Physics, vol. 121, no. 19, s. 9239-9246, 2004.
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Z. L. Li et al., "Effect of the electronic dimensionality of electrodes on the current-voltage characteristics of single molecular devices," Wuli xuebao, vol. 53, no. 5, s. 1490-1495, 2004.
[297]
Y. Fu, O. Engström och Y. Luo, "Emission rates for electron tunneling from InAs quantum dots to GaAs substrate," Journal of Applied Physics, vol. 96, no. 11, s. 6477-6481, 2004.
[298]
B. Brena et al., "Equivalent core-hole time-dependent density functional theory calculations of carbon 1s shake-up states of phthalocyanine," Physical Review B. Condensed Matter and Materials Physics, vol. 70, no. 19, s. 195214, 2004.
[299]
P. Cronstrand et al., "Few-states models for three-photon absorption," Journal of Chemical Physics, vol. 121, no. 5, s. 2020-2029, 2004.
[300]
J. Jiang, W. Lu och Y. Luo, "Length dependence of coherent electron transportation in metal-alkanedithiol-metal and metal-alkanemonothiol-metal junctions," Chemical Physics Letters, vol. 400, no. 4-6, s. 336-340, 2004.
[301]
S. Kashtanov et al., "Local structures of liquid water studied by x-ray emission spectroscopy," Physical Review B. Condensed Matter and Materials Physics, vol. 69, no. 2, 2004.
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J. N. O'Shea et al., "Molecular ordering in isonicotinic acid on rutile TiO2(110) investigated with valence band photoemission," Journal of Chemical Physics, vol. 121, no. 20, s. 10203-10208, 2004.
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S. Carniato et al., "Multidimensional transition-state theory calculations for nuclear dynamics of core-excited molecules," Physical Review A. Atomic, Molecular, and Optical Physics, vol. 70, no. 3, 2004.
[304]
J. H. Guo et al., "The molecular structure of alcohol-water mixtures determined by soft-X-ray absorption and emission spectroscopy," Journal of Electron Spectroscopy and Related Phenomena, vol. 137-40, s. 425-428, 2004.
[305]
O. Rubio-Pons och Y. Luo, "The permanent dipole moment of gas-phase para-amino benzoic acid revisited," Journal of Chemical Physics, vol. 121, no. 1, s. 157-161, 2004.
[306]
Y. H. Sun et al., "Theoretical studies on nonlinear optical properties of two newly synthesized compounds : PVPHC and DPVPA," Chemical Physics Letters, vol. 394, no. 03-jan, s. 176-181, 2004.
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Y. H. Sun et al., "Two-photon absorption properties of multi-branched bis-(styryl)benzene based organic chromophores," Journal of Molecular Structure : THEOCHEM, vol. 682, no. 03-jan, s. 185-189, 2004.
[308]
J. D. Guo och Y. Luo, "A theoretical study of the photo-oxidation of a fluorene-based two-photon chromophore," Journal of Molecular Structure : THEOCHEM, vol. 635, s. 1-9, 2003.
[309]
P. Cronstrand et al., "Ab initio calculations of three-photon absorption," Chemical Physics Letters, vol. 375, no. 02-jan, s. 233-239, 2003.
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P. Salek et al., "Calculations of two-photon absorption cross sections by means of density-functional theory," Chemical Physics Letters, vol. 374, no. 06-maj, s. 446-452, 2003.
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S. Kashtanov et al., "Characterization of aza-fullerene C58N2 isomers by X-ray spectroscopy," Chemical Physics Letters, vol. 371, no. 02-jan, s. 98-104, 2003.
[312]
C. K. Wang och Y. Luo, "Current-voltage characteristics of single molecular junction : Dimensionality of metal contacts," Journal of Chemical Physics, vol. 119, no. 9, s. 4923-4928, 2003.
[313]
J. D. Guo, Y. Luo och F. Himo, "DNA repair by spore photoproduct lyase : A density functional theory study," Journal of Physical Chemistry B, vol. 107, no. 40, s. 11188-11192, 2003.
[314]
B. Brena och Y. Luo, "Electronic structures of azafullerene C48N12," Journal of Chemical Physics, vol. 119, no. 14, s. 7139-7144, 2003.
[315]
Y. Luo, C. K. Wang och Y. Fu, "Electronic transport properties of single molecular junctions based on five-membered heteraromatic molecules," Chemical Physics Letters, vol. 369, no. 04-mar, s. 299-304, 2003.
[316]
C. K. Wang et al., "First-principle studies of I-V properties of a molecular wire," Science in China Series G : Physics Mechanics and Astronomy, vol. 46, no. 2, s. 113-121, 2003.
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J. D. Guo et al., "Influence of electron-acceptor strength on the resonant two-photon absorption cross sections of diphenylaminofluorene-based chromophores," Physical Chemistry, Chemical Physics - PCCP, vol. 5, no. 18, s. 3869-3873, 2003.
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J.-H. Guo et al., "Molecular structure of alcohol-water mixtures," Physical Review Letters, vol. 91, no. 15, 2003.
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Z. L. Huang et al., "Novel heterocycle-based organic molecules with two-photon induced blue fluorescent emission," Journal of Materials Chemistry, vol. 13, no. 4, s. 708-711, 2003.
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C. Wang et al., "Solvent dependence of solvatochromic shifts and the first hyperpolarizability of para-nitroaniline : a nonmonotonic behaviour," Journal of Chemical Physics, vol. 119, no. 8, s. 4409, 2003.
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C. K. Wang et al., "Solvent effects on the electronic structure of a newly synthesized two-photon polymerization initiator," Journal of Chemical Physics, vol. 119, no. 2, s. 1208-1213, 2003.
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S. Carniato et al., "Ab initio study of the Cu 2p and 3s core-level XPS spectra of copper phthalocyanine," Physical Review B. Condensed Matter and Materials Physics, vol. 66, no. 4, 2002.
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A. Goldoni et al., "C-70 adsorbed on Cu(111) : Metallic character and molecular orientation," Journal of Chemical Physics, vol. 116, no. 17, s. 7685-7690, 2002.
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J. D. Guo, Y. Luo och F. Himo, "Density functional theory study of the canthaxanthin and other carotenoid radical cations," Chemical Physics Letters, vol. 366, no. 02-jan, s. 73-81, 2002.
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F. Gel'mukhanov et al., "Dynamics of two-photon absorption by molecules and solutions," Journal of the Optical Society of America. B, Optical physics, vol. 19, no. 5, s. 937-945, 2002.
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Y. Luo, C. K. Wang och Y. Fu, "Effects of chemical and physical modifications on the electronic transport properties of molecular junctions," Journal of Chemical Physics, vol. 117, no. 22, s. 10283-10290, 2002.
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P. Cronstrand, Y. Luo och H. Ågren, "Effects of dipole alignment and channel interference on two-photon absorption cross sections of two-dimensional charge-transfer systems," Journal of Chemical Physics, vol. 117, no. 24, s. 11102-11106, 2002.
[328]
A. Baev et al., "General theory for pulse propagation in two-photon active media," Journal of Chemical Physics, vol. 117, no. 13, s. 6214-6220, 2002.
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P. Cronstrand, Y. Luo och H. Ågren, "Generalized few-state models for two-photon absorption of conjugated molecules," Chemical Physics Letters, vol. 352, no. 04-mar, s. 262-269, 2002.
[330]
A. Bassan, M. Nyberg och Y. Luo, "Identifying isomers of C-78 by means of x-ray spectroscopy," Physical Review B. Condensed Matter and Materials Physics, vol. 65, no. 16, 2002.
[331]
B. Jansik et al., "Size, order, and dimensional relations for silicon cluster polarizabilities," Journal of Physical Chemistry A, vol. 106, no. 2, s. 395-399, 2002.
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S. Myneni et al., "Spectroscopic probing of local hydrogen-bonding structures in liquid water," Journal of Physics : Condensed Matter, vol. 14, no. 8, s. L213-L219, 2002.
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J. H. Guo et al., "X-ray emission spectroscopy of hydrogen bonding and electronic structure of liquid water," Physical Review Letters, vol. 89, no. 13, 2002.
[334]
C. Wang, Y. Fu och Y. Luo, "A quantum chemistry approach for current-voltage characterization of molecular junctions," Physical Chemistry, Chemical Physics - PCCP, vol. 3, no. 22, s. 5017-5023, 2001.
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Y. Luo et al., "A theoretical investigation of the near-edge X-ray absorption spectrum of hexa-peri-hexabenzocoronene," Chemical Physics Letters, vol. 337, no. 03-jan, s. 176-180, 2001.
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M. Nyberg et al., "Bond formation in titanium fulleride compounds studied through x-ray emission spectroscopy," Physical Review B. Condensed Matter and Materials Physics, vol. 63, no. 11, s. art. no.-115117, 2001.
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C. K. Wang et al., "Effects of pi centers and symmetry on two-photon absorption cross sections of organic chromophores," Journal of Chemical Physics, vol. 114, no. 22, s. 9813-9820, 2001.
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L. G. M. Pettersson et al., "Electronic structure effects from hydrogen bonding in the liquid phase and in chemisorption : an integrated theory and experimental effort," Journal of Synchrotron Radiation, vol. 8, s. 136-140, 2001.
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J. N. O'Shea et al., "Hydrogen-bond induced surface core-level shift in isonicotinic acid," Journal of Physical Chemistry B, vol. 105, no. 10, s. 1917-1920, 2001.
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J. N. O'Shea et al., "Hydrogen-bond induced surface core-level shift in pyridine carboxylic acids," Surface Science, vol. 486, no. 3, s. 157-166, 2001.
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N. Hellgren et al., "Nitrogen bonding structure in carbon nitride thin films studied by soft x-ray spectroscopy," Applied Physics Letters, vol. 79, no. 26, s. 4348-4350, 2001.
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R. W. Munn et al., "Role of the cavity field in nonlinear optical response in the condensed phase," Journal of Chemical Physics, vol. 114, no. 7, s. 3105-3108, 2001.
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S. Carniato, Y. Luo och H. Ågren, "Theoretical study of the near-edge Cu L x-ray absorption spectrum of copper phthalocyanine," Physical Review B Condensed Matter, vol. 6308, no. 8, 2001.
[346]
L. Triguero et al., "Direct experimental measurement of donation/back-donation in unsaturated hydrocarbon bonding to metals," Journal of the American Chemical Society, vol. 122, no. 49, s. 12310-12316, 2000.
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P. Macak et al., "Modeling of dynamic molecular solvent properties using local and cavity field approaches," Journal of Chemical Physics, vol. 112, no. 4, s. 1868-1875, 2000.
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Y. Luo et al., "Nonlinear optical susceptibilities of fullerenes in the condensed phase," Physical Review B. Condensed Matter and Materials Physics, vol. 61, no. 4, s. 3060-3066, 2000.
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P. Macak, Y. Luo och H. Ågren, "Simulations of vibronic profiles in two-photon absorption," Chemical Physics Letters, vol. 330, no. 04-mar, s. 447-456, 2000.
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Y. Luo et al., "Solvent-induced two-photon absorption of a push-pull molecule," Journal of Physical Chemistry A, vol. 104, no. 20, s. 4718-4722, 2000.
Konferensbidrag
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Y. Luo, A. Lundström och C. M. Bogdan, "Gaming at work to save energy – Learnings from workers playing a cooperative game," i CEUR Workshop Proceedings, 2019.
[352]
J. Heck et al., "Structure-property relationship in organometallic compounds regarding SHG," i Linear and Nonlinear Optics of Organic Materials VII, 2007, s. R6530-R6530.
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P. C. Jha et al., "A critical examination of two-photon absorption cross-sections of some reference dyes," i Proceedings of International Symposium on Biophotonics, Nanophotonics and Metamaterials, 2006, s. 56-59.
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P. Cronstrand, Y. Luo och H. Ågren, "Multi-photon absorption of molecules : A TRIBUTE TO JAN LINDERBERG AND POUL JORGENSEN," i ADVANCES IN QUANTUM CHEMISTRY, VOL 50: A TRIBUTE TO JAN LINDERBERG AND POUL JORGENSEN, 2005, s. 1-21.
Icke refereegranskade
Artiklar
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Z. Li et al., "A first principles study on atomic structure of graphene oxide and the mechanism of oxidation induced cutting," Abstracts of Papers of the American Chemical Society, vol. 238, 2009.
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Z. Luo et al., "Stabilizing single-molecular Raman spectrum of a nonbonding molecule on Ag nanoparticles," Chemical Communications, no. 11, s. 1342-1344, 2009.
Övriga
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X. Li et al., "Dopant Size Dependent Electronic Structure of Boron Nitride-Doped Graphene," (Manuskript).
[361]
X. Li et al., "Electronic Structure of Lithium Intercalated Graphite from First-Principles Simulations," (Manuskript).
[362]
B. Brena, S. Carniato och Y. Luo, "Electronic and geometrical structures of the N1s-13(pi) excited states in the N2O molecule," (Manuskript).
[363]
S. Kashtanov et al., "Electronic structure of water clusters in tetrahedral, ring, and chain conformations.," (Manuskript).
[364]
W. Zhang och Y. Luo, "First-Principles Study on Different BDT-gold Contact Structures," (Manuskript).
[365]
X. Cheng et al., "High-Resolution Vibrationally-Resolved X-ray Photoelectron Spectra of Linear Alkanes C$_{n}$H$_{2n+2}$ ($n$=1-8)," (Manuskript).
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X. Cheng et al., "High-Resolution Vibrationally-Resolved X-ray Photoelectron Spectra of Linear Alkanes CnH2n+2 (n=1-8)," (Manuskript).
[367]
H. Cao, J. Ma och Y. Luo, "Many-Body Interaction Formulism of Electron Transport in Molecular Junctions," (Manuskript).
[368]
S. Kashtanov et al., "Molecular dynamics simulations and X-ray emission studies of Mg2+ cation in liquid water.," (Manuskript).
[369]
[370]
X. Cheng, J. Guo och Y. Luo, "Multiplet Ligand-Field Calculation of Co L-edge X-ray Absorption Spectrum using Parameters from DFT Wannier Functions," (Manuskript).
[371]
X. Cheng, J. Guo och Y. Luo, "Multiplet Ligand-Field Calculation of Co L-edge X-ray Absorption Spectrum using Parameters from DFT Wannier Functions Analysis," (Manuskript).
[372]
[373]
Q. Fang och Y. Luo, "Synchronous Concerted Four-Body Photodissociation of Oxalyl Chloride Explored by ab initio based Molecular Dynamics Simulations," (Manuskript).
[374]
A. Jamshidi et al., "Synthesisof Cd-Free and Low Toxic Cu2GeS3-Inp Quantum Dots For Infrared Solar Cell Applications," (Manuskript).
[375]
M. Kula, J. Jiang och Y. Luo, "Temperature dependence of inelastic electron transport in molecular junctions," (Manuskript).
[376]
X. Cheng et al., "The High-Spin and Low-Spin States of Co(III) Ion in Co3O4 Studied by X-ray Absorption Spectroscopy," (Manuskript).
[377]
J. Li, J. Zhang och Y. Luo, "The assignment of optical absorption spectra of protonated anthracene isomers:revisited," (Manuskript).
[378]
W. Zhang, Z. Li och Y. Luo, "Theoretical Study of X-ray PhotoemissionSpectra of Graphene Oxide," (Manuskript).
[379]
W. Zhang och Y. Luo, "Theoretical study on phase transition of watercovered anatase TiO2 (001) surface," (Manuskript).
[380]
H. Cao, J. Ma och Y. Luo, "Time-Dependent Current Through Molecular Junctions : Analysis in State Space," (Manuskript).
[381]
N. Lin och Y. Luo, "Vibronically induced shift between one- and two-photon absorption spectra," (Manuskript).
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2025-06-21 22:18:39 UTC