Class information for:
Level 1: JOURNAL OF CHEMICAL THEORY AND COMPUTATION//COMPUTAT MOL SCI TECHNOL//MULLIKEN THEORET CHEM

Basic class information
Class id #P Avg. number of
references		 Database coverage
of references
3082 2071 59.5 83%


Bar chart of Publication_year

Last years might be incomplete

Hierarchy of classes
The table includes all classes above and classes immediately below the current class.


Cluster id Level Cluster label #P
5 4 CHEMISTRY, ORGANIC//CHEMISTRY, INORGANIC & NUCLEAR//CHEMISTRY, MULTIDISCIPLINARY 1745167
3 3       PHYSICS, ATOMIC, MOLECULAR & CHEMICAL//JOURNAL OF CHEMICAL PHYSICS//CHEMISTRY, PHYSICAL 183883
1535 2             HALOGEN BONDING//NONCOVALENT INTERACTIONS//SIGMA HOLE 7455
3082 1                   JOURNAL OF CHEMICAL THEORY AND COMPUTATION//COMPUTAT MOL SCI TECHNOL//MULLIKEN THEORET CHEM 2071

Terms with highest relevance score


rank Term termType Chi square Shr. of publ. in
class containing
term		 Class's shr. of
term's tot. occurrences		 #P with
term in
class
1 JOURNAL OF CHEMICAL THEORY AND COMPUTATION journal 168440 11% 5% 229
2 COMPUTAT MOL SCI TECHNOL address 160435 2% 24% 45
3 MULLIKEN THEORET CHEM address 107492 2% 16% 46
4 QUEENSLAND MICRO NANO TECHNOL address 99507 0% 75% 9
5 DISPERSION INTERACTIONS authKW 74267 1% 20% 25
6 COMMERCIAL PRINT ENGINE address 60193 0% 58% 7
7 DISPERSION ENERGY CORRECTION authKW 58970 0% 100% 4
8 LONDON DISPERSION ENERGY authKW 58970 0% 100% 4
9 XYG3 authKW 58970 0% 100% 4
10 BENZENE DIMER authKW 55561 0% 54% 7

Web of Science journal categories


Rank Term Chi square Shr. of publ. in
class containing
term		 Class's shr. of
term's tot. occurrences		 #P with term
in class
1 Physics, Atomic, Molecular & Chemical 42110 56% 0% 1155
2 Chemistry, Physical 21791 67% 0% 1381
3 Chemistry, Multidisciplinary 736 15% 0% 307
4 Physics, Condensed Matter 444 10% 0% 202
5 Nanoscience & Nanotechnology 199 4% 0% 89
6 Computer Science, Interdisciplinary Applications 108 3% 0% 54
7 Mathematics, Interdisciplinary Applications 74 2% 0% 38
8 Physics, Multidisciplinary 44 4% 0% 82
9 Crystallography 26 2% 0% 34
10 Biophysics 18 2% 0% 47

Address terms


Rank Term Chi square Shr. of publ. in
class containing
term		 Class's shr. of
term's tot. occurrences		 #P with
term in
class
1 COMPUTAT MOL SCI TECHNOL 160435 2% 24% 45
2 MULLIKEN THEORET CHEM 107492 2% 16% 46
3 QUEENSLAND MICRO NANO TECHNOL 99507 0% 75% 9
4 COMMERCIAL PRINT ENGINE 60193 0% 58% 7
5 MOE COMPUTAT PHYS SCI CHEM 53068 0% 60% 6
6 MOE COMPUTAT PHYS SCI 48954 1% 24% 14
7 COMMERCIAL PRINT ENGINE S 44227 0% 100% 3
8 COMPUTAT MOL DESIGN 43859 1% 19% 16
9 INORGANOMETALL CATALYST DESIGN 39311 0% 67% 4
10 ITALIAN IST OFFICINA MAT IOM 39311 0% 67% 4

Journals


Rank Term Chi square Shr. of publ. in
class containing
term		 Class's shr. of
term's tot. occurrences		 #P with
term in
class
1 JOURNAL OF CHEMICAL THEORY AND COMPUTATION 168440 11% 5% 229
2 JOURNAL OF CHEMICAL PHYSICS 19042 16% 0% 335
3 JOURNAL OF PHYSICAL CHEMISTRY A 13947 8% 1% 169
4 PHYSICAL CHEMISTRY CHEMICAL PHYSICS 11356 7% 1% 145
5 JOURNAL OF COMPUTATIONAL CHEMISTRY 8018 3% 1% 58
6 THEORETICAL CHEMISTRY ACCOUNTS 6103 2% 1% 34
7 COMPUTATIONAL AND THEORETICAL CHEMISTRY 5324 1% 1% 29
8 JOURNAL OF MOLECULAR MODELING 4685 2% 1% 34
9 JOURNAL OF PHYSICAL CHEMISTRY LETTERS 3648 2% 1% 35
10 WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE 3627 0% 3% 8

Author Key Words


Rank Term Chi square Shr. of publ. in
class containing
term		 Class's shr. of
term's tot. occurrences		 #P with
term in
class		 LCSH search Wikipedia search
1 DISPERSION INTERACTIONS 74267 1% 20% 25 Search DISPERSION+INTERACTIONS Search DISPERSION+INTERACTIONS
2 DISPERSION ENERGY CORRECTION 58970 0% 100% 4 Search DISPERSION+ENERGY+CORRECTION Search DISPERSION+ENERGY+CORRECTION
3 LONDON DISPERSION ENERGY 58970 0% 100% 4 Search LONDON+DISPERSION+ENERGY Search LONDON+DISPERSION+ENERGY
4 XYG3 58970 0% 100% 4 Search XYG3 Search XYG3
5 BENZENE DIMER 55561 0% 54% 7 Search BENZENE+DIMER Search BENZENE+DIMER
6 DISPERSION CORRECTION 48954 1% 24% 14 Search DISPERSION+CORRECTION Search DISPERSION+CORRECTION
7 VAN DER WAALS INTERACTION 47840 2% 9% 35 Search VAN+DER+WAALS+INTERACTION Search VAN+DER+WAALS+INTERACTION
8 DHDF 44227 0% 100% 3 Search DHDF Search DHDF
9 PYRIDINE DIMER 44227 0% 100% 3 Search PYRIDINE+DIMER Search PYRIDINE+DIMER
10 METHANE DIMER 39311 0% 67% 4 Search METHANE+DIMER Search METHANE+DIMER

Core articles
The table includes core articles in the class. The following variables is taken into account for the relevance score of an article in a cluster c:
(1) Number of references referring to publications in the class.
(2) Share of total number of active references referring to publications in the class.
(3) Age of the article. New articles get higher score than old articles.
(4) Citation rate, normalized to year.


Rank Reference # ref. in
cl.		 Shr. of ref. in
cl.		 Citations
1 GRIMME, S , HANSEN, A , BRANDENBURG, JG , BANNWARTH, C , (2016) DISPERSION-CORRECTED MEAN-FIELD ELECTRONIC STRUCTURE METHODS.CHEMICAL REVIEWS. VOL. 116. ISSUE 9. P. 5105 -5154 248 65% 38
2 EHRLICH, S , KRIEG, H , GRIMME, S , ANTONY, J , (2010) A CONSISTENT AND ACCURATE AB INITIO PARAMETRIZATION OF DENSITY FUNCTIONAL DISPERSION CORRECTION (DFT-D) FOR THE 94 ELEMENTS H-PU.JOURNAL OF CHEMICAL PHYSICS. VOL. 132. ISSUE 15. P. - 69 64% 4676
3 KLIMES, J , MICHAELIDES, A , (2012) PERSPECTIVE: ADVANCES AND CHALLENGES IN TREATING VAN DER WAALS DISPERSION FORCES IN DENSITY FUNCTIONAL THEORY.JOURNAL OF CHEMICAL PHYSICS. VOL. 137. ISSUE 12. P. - 115 78% 364
4 BERLAND, K , COOPER, VR , LEE, K , SCHRODER, E , THONHAUSER, T , HYLDGAARD, P , LUNDQVIST, BI , (2015) VAN DER WAALS FORCES IN DENSITY FUNCTIONAL THEORY: A REVIEW OF THE VDW-DF METHOD.REPORTS ON PROGRESS IN PHYSICS. VOL. 78. ISSUE 6. P. - 149 60% 64
5 GRIMME, S , (2011) DENSITY FUNCTIONAL THEORY WITH LONDON DISPERSION CORRECTIONS.WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE. VOL. 1. ISSUE 2. P. 211 -228 81 80% 615
6 RILEY, KE , PITONAK, M , JURECKA, P , HOBZA, P , (2010) STABILIZATION AND STRUCTURE CALCULATIONS FOR NONCOVALENT INTERACTIONS IN EXTENDED MOLECULAR SYSTEMS BASED ON WAVE FUNCTION AND DENSITY FUNCTIONAL THEORIES.CHEMICAL REVIEWS. VOL. 110. ISSUE 9. P. 5023 -5063 157 49% 401
7 GRIMME, S , (2006) SEMIEMPIRICAL GGA-TYPE DENSITY FUNCTIONAL CONSTRUCTED WITH A LONG-RANGE DISPERSION CORRECTION.JOURNAL OF COMPUTATIONAL CHEMISTRY. VOL. 27. ISSUE 15. P. 1787 -1799 35 59% 7223
8 YU, F , (2014) SPIN-COMPONENT-SCALED DOUBLE-HYBRID DENSITY FUNCTIONALS WITH NON LOCAL VAN DER WAALS CORRELATIONS FOR NONCOVALENT INTERACTIONS.JOURNAL OF CHEMICAL THEORY AND COMPUTATION. VOL. 10. ISSUE 10. P. 4400 -4407 102 84% 9
9 GRIMME, S , EHRLICH, S , GOERIGK, L , (2011) EFFECT OF THE DAMPING FUNCTION IN DISPERSION CORRECTED DENSITY FUNCTIONAL THEORY.JOURNAL OF COMPUTATIONAL CHEMISTRY. VOL. 32. ISSUE 7. P. 1456 -1465 41 67% 1500
10 DISTASIO, RA , CAR, R , ASPURU-GUZIK, A , BLOOD-FORSYTHE, MA , MARKOVICH, T , (2016) ANALYTICAL NUCLEAR GRADIENTS FOR THE RANGE-SEPARATED MANY-BODY DISPERSION MODEL OF NONCOVALENT INTERACTIONS.CHEMICAL SCIENCE. VOL. 7. ISSUE 3. P. 1712 -1728 84 74% 6

Classes with closest relation at Level 1


Rank Class id link
1 19223 ARENE INTERACTIONS//INHIBITORY CONFORMATION//U MOTIF
2 4950 HALL ATWATER S CHEM//BASIS SET EXTRAPOLATION//CORRELATION CONSISTENT BASIS SETS
3 9511 CATION PI INTERACTION//ANION PI INTERACTIONS//STABILIZATION CENTERS
4 9546 CHEMICAL HAMILTONIAN APPROACH//SYMMETRY ADAPTED PERTURBATION THEORY//BASIS SET SUPERPOSITION ERROR
5 21107 SEMIEMPIRICAL MO THEORY//NDDO//DFTB
6 969 QUANTUM THEORY GRP//OPTIMIZED EFFECTIVE POTENTIAL//INHOMOGENEOUS ELECTRON LIQUID
7 4566 ELECTRON REPULSION INTEGRALS//DENSITY FITTING//INCREMENTAL SCHEME
8 9267 CHIM THEOR PL//GRP CHIM PHYS THEOR STRUCT//JOURNAL OF CHEMICAL THEORY AND COMPUTATION
9 14253 ELONGATION METHOD//FRAGMENT MOLECULAR ORBITAL METHOD//THEORET COMPUTAT SCI
10 5181 COMPUTAT CHEM//COMPUTAT QUANTUM CHEM//METAL METAL BONDING

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