Class information for:
Level 1: INTERMOLECULAR EFFECTS//NUCLEAR MAGNETIC SHIELDINGS//CHEMICAL SHIFT COMPUTATIONS

Basic class information
ID Publications Average number
of references		 Avg. shr. active
ref. in WoS
4693 1668 44.4 57%


Bar chart of Publication_year

Last years might be incomplete

Classes in level above (level 2)


ID, lev.
above		 Publications Label for level above
965 10251 MAGIC ANGLE SPINNING//SOLID STATE NMR//SOLID STATE NUCLEAR MAGNETIC RESONANCE

Terms with highest relevance score


Rank Term Type of term Relevance score
(tfidf)		 Class's shr.
of term's tot.
occurrences		 Shr. of publ.
in class containing
term		 Num. of
publ. in
class
1 INTERMOLECULAR EFFECTS Author keyword 42 94% 1% 15
2 NUCLEAR MAGNETIC SHIELDINGS Author keyword 12 86% 0% 6
3 CHEMICAL SHIFT COMPUTATIONS Author keyword 9 83% 0% 5
4 POLARIZATION PROPAGATORS Author keyword 9 83% 0% 5
5 NUCLEAR MAGNETIC SHIELDING Author keyword 9 52% 1% 12
6 GIAO Author keyword 7 15% 2% 41
7 LOCALLY DENSE BASIS SET Author keyword 6 80% 0% 4
8 NMR SHIELDING CONSTANTS Author keyword 6 71% 0% 5
9 NUCLEAR SCREENING Author keyword 6 58% 0% 7
10 CHEMICAL SHIFT TENSORS Author keyword 6 42% 1% 11

Web of Science journal categories

Author Key Words


Rank Web of Science journal category Relevance score
(tfidf)		 Class's shr.
of term's tot.
occurrences		 Shr. of publ.
in class containing
term		 Num. of
publ. in
class		 LCSH search Wikipedia search
1 INTERMOLECULAR EFFECTS 42 94% 1% 15 Search INTERMOLECULAR+EFFECTS Search INTERMOLECULAR+EFFECTS
2 NUCLEAR MAGNETIC SHIELDINGS 12 86% 0% 6 Search NUCLEAR+MAGNETIC+SHIELDINGS Search NUCLEAR+MAGNETIC+SHIELDINGS
3 CHEMICAL SHIFT COMPUTATIONS 9 83% 0% 5 Search CHEMICAL+SHIFT+COMPUTATIONS Search CHEMICAL+SHIFT+COMPUTATIONS
4 POLARIZATION PROPAGATORS 9 83% 0% 5 Search POLARIZATION+PROPAGATORS Search POLARIZATION+PROPAGATORS
5 NUCLEAR MAGNETIC SHIELDING 9 52% 1% 12 Search NUCLEAR+MAGNETIC+SHIELDING Search NUCLEAR+MAGNETIC+SHIELDING
6 GIAO 7 15% 2% 41 Search GIAO Search GIAO
7 LOCALLY DENSE BASIS SET 6 80% 0% 4 Search LOCALLY+DENSE+BASIS+SET Search LOCALLY+DENSE+BASIS+SET
8 NMR SHIELDING CONSTANTS 6 71% 0% 5 Search NMR+SHIELDING+CONSTANTS Search NMR+SHIELDING+CONSTANTS
9 NUCLEAR SCREENING 6 58% 0% 7 Search NUCLEAR+SCREENING Search NUCLEAR+SCREENING
10 CHEMICAL SHIFT TENSORS 6 42% 1% 11 Search CHEMICAL+SHIFT+TENSORS Search CHEMICAL+SHIFT+TENSORS

Key Words Plus


Rank Web of Science journal category Relevance score
(tfidf)		 Class's shr.
of term's tot.
occurrences		 Shr. of publ.
in class containing
term		 Num. of
publ. in
class
1 SHIELDING CONSTANTS 53 45% 5% 87
2 LOCALIZED QUANTITIES 52 35% 7% 123
3 INCLUDING ATOMIC ORBITALS 50 47% 5% 78
4 INITIO UHF METHOD 44 88% 1% 21
5 MAGNETIC SHIELDING CONSTANTS 36 50% 3% 53
6 NMR CHEMICAL SHIFTS 31 13% 13% 219
7 NUCLEAR MAGNETIC SHIELDINGS 27 63% 2% 27
8 SHIELDING TENSORS 23 24% 5% 85
9 STEREOSTRUCTURE ASSIGNMENT 21 90% 1% 9
10 MAGNETIZABILITIES 19 74% 1% 14

Journals

Reviews


Title Publ. year Cit. Active references % act. ref.
to same field
Computational Prediction of H-1 and C-13 Chemical Shifts: A Useful Tool for Natural Product, Mechanistic, and Synthetic Organic Chemistry 2012 124 200 42%
Ab initio methods for the calculation of NMR shielding and indirect spin-spin coupling constants 1999 910 263 48%
Quantitative prediction of gas-phase C-13 nuclear magnetic shielding constants 2003 165 89 63%
Relativistic Computations of NMR Parameters from First Principles: Theory and Applications 2009 64 232 49%
Chemical shift tensors: Theory and application to molecular structural problems 2011 21 161 53%
Density functional calculations of NMR chemical shifts and ESR g-tensors 1998 145 90 63%
An efficient approach for calculating vibrational wave functions and zero-point vibrational corrections to molecular properties of polyatomic molecules 2000 134 65 54%
Calculation of NMR shielding tensors based on density functional theory and a scalar relativistic Pauli-type Hamiltonian. The application to transition metal complexes 1997 186 45 42%
Theory and computation of nuclear magnetic resonance parameters 2007 93 129 42%
Recent Advances in Wave Function-Based Methods of Molecular-Property Calculations 2012 105 831 15%

Address terms


Rank Address term Relevance score
(tfidf)		 Class's shr.
of term's tot.
occurrences		 Shr. of publ.
in class containing
term		 Num. of
publ. in
class
1 NMR SPECT 5 12% 2.4% 40
2 MODELING INNOVAT TECHNOL 4 75% 0.2% 3
3 MAGNET ONANCE IL MADISON NMRFAM 3 57% 0.2% 4
4 EXCELLENCE DYNAM MOLEC INTER IALE 2 67% 0.1% 2
5 ENGN SYNTHET CHEM BIOL CHEM SAKYO KU 1 38% 0.2% 3
6 IST TECNOL MEMBRANE 1 16% 0.5% 8
7 CHEM CHEM FUELS ENGN 1 100% 0.1% 2
8 CHEM MAGNET ONANCE MOL SCI 1 100% 0.1% 2
9 FR 2575 OXYDES FLUORU 1 100% 0.1% 2
10 I MIT 1 50% 0.1% 2

Related classes at same level (level 1)


Rank Relatedness score Related classes
1 0.0000214439 SOPPA//SOPPACCSD//SPIN COUPLING CONSTANTS
2 0.0000166390 CADMIUM THIOCYANATES//PHOSPHORUS CHEMICAL SHIFT TENSORS//ZORA DFT CALCULATIONS
3 0.0000134427 NITROGEN SHIELDINGS//NITROGEN CHEMICAL SHIFTS//NITROGEN SHIELDING
4 0.0000105618 DEUTERIUM ISOTOPE EFFECTS//DEUTERIUM ISOTOPE EFFECTS ON CHEMICAL SHIFTS//LONG RANGE ISOTOPE EFFECTS
5 0.0000095650 RH 103 NMR//FE 57 NMR//H 1 NOESY
6 0.0000094116 O 17 NMR CHEMICAL SHIFTS//O 17 NMR//NATURAL ABUNDANCE O 17 NMR SPECTRA
7 0.0000092010 RELATIVISTIC BASIS SETS//CORRELATING FUNCTIONS//TRIPLE ZETA
8 0.0000090517 JONES BIREFRINGENCE//RESPONSE FIELDS//DIPARTIMENTO FIS UDINE
9 0.0000088988 POLYPROLINE II//RANDOM COIL//COIL LIBRARY
10 0.0000080433 XE 129 NMR//XE 129 NMR SPECTROSCOPY//XENON ADSORPTION