Class information for:
Level 1: INTERMOLECULAR EFFECTS//NUCLEAR MAGNETIC SHIELDING//GIAO

Basic class information
Class id #P Avg. number of
references		 Database coverage
of references
4862 1712 45.4 58%


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
454 3       JOURNAL OF MOLECULAR STRUCTURE//MICROWAVE SPECTROSCOPY//JOURNAL OF MOLECULAR SPECTROSCOPY 25401
1520 2             MAGNETIC RESONANCE IN CHEMISTRY//SOPPA//ANOMERIC EFFECT 7489
4862 1                   INTERMOLECULAR EFFECTS//NUCLEAR MAGNETIC SHIELDING//GIAO 1712

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 INTERMOLECULAR EFFECTS authKW 250794 1% 94% 15
2 NUCLEAR MAGNETIC SHIELDING authKW 221994 1% 66% 19
3 GIAO authKW 96467 2% 14% 39
4 NMR SPECT address 91779 3% 12% 43
5 SHIELDING CONSTANTS authKW 84915 1% 48% 10
6 NMR CHEMICAL SHIFTS authKW 80123 1% 22% 20
7 CHEMICAL SHIFT COMPUTATIONS authKW 74308 0% 83% 5
8 POLARIZATION PROPAGATORS authKW 74308 0% 83% 5
9 GAS PHASE NMR authKW 64199 0% 60% 6
10 NMR SHIELDING CONSTANTS authKW 63691 0% 71% 5

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 33860 55% 0% 942
2 Chemistry, Physical 18396 67% 0% 1153
3 Spectroscopy 2329 11% 0% 182
4 Chemistry, Multidisciplinary 1553 22% 0% 369
5 Chemistry, Organic 153 6% 0% 102
6 Mathematics, Interdisciplinary Applications 130 2% 0% 42
7 Chemistry, Inorganic & Nuclear 117 4% 0% 69
8 Biochemical Research Methods 41 3% 0% 45
9 Crystallography 1 1% 0% 16
10 Mineralogy 1 0% 0% 5

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 NMR SPECT 91779 3% 12% 43
2 NMR GRP 46401 2% 9% 28
3 MAGNET ONANCE IL MADISON NMRFAM 40761 0% 57% 4
4 MODELING INNOVAT TECHNOL 40126 0% 75% 3
5 CHEM CHEM FUELS ENGN 35669 0% 100% 2
6 IMIT CONICET UNNE 35669 0% 100% 2
7 MODELING TECHNOL INNOVAT 35669 0% 100% 2
8 MODELLING INNOVAT TECHNOL 35669 0% 100% 2
9 PROC ENGN CONSTRUCT MAT 35669 0% 100% 2
10 UTAH SUPERCOMP 27859 0% 31% 5

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 MAGNETIC RESONANCE IN CHEMISTRY 21739 5% 1% 84
2 JOURNAL OF CHEMICAL PHYSICS 15405 16% 0% 274
3 CONCEPTS IN MAGNETIC RESONANCE PART A 12369 1% 5% 14
4 CHEMICAL PHYSICS LETTERS 10841 10% 0% 170
5 MOLECULAR PHYSICS 10611 5% 1% 82
6 JOURNAL OF PHYSICAL CHEMISTRY A 5971 6% 0% 101
7 JOURNAL OF CHEMICAL THEORY AND COMPUTATION 4703 2% 1% 35
8 JOURNAL OF COMPUTATIONAL CHEMISTRY 4600 2% 1% 40
9 JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM 4495 3% 0% 54
10 SOLID STATE NUCLEAR MAGNETIC RESONANCE 4226 1% 1% 17

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 INTERMOLECULAR EFFECTS 250794 1% 94% 15 Search INTERMOLECULAR+EFFECTS Search INTERMOLECULAR+EFFECTS
2 NUCLEAR MAGNETIC SHIELDING 221994 1% 66% 19 Search NUCLEAR+MAGNETIC+SHIELDING Search NUCLEAR+MAGNETIC+SHIELDING
3 GIAO 96467 2% 14% 39 Search GIAO Search GIAO
4 SHIELDING CONSTANTS 84915 1% 48% 10 Search SHIELDING+CONSTANTS Search SHIELDING+CONSTANTS
5 NMR CHEMICAL SHIFTS 80123 1% 22% 20 Search NMR+CHEMICAL+SHIFTS Search NMR+CHEMICAL+SHIFTS
6 CHEMICAL SHIFT COMPUTATIONS 74308 0% 83% 5 Search CHEMICAL+SHIFT+COMPUTATIONS Search CHEMICAL+SHIFT+COMPUTATIONS
7 POLARIZATION PROPAGATORS 74308 0% 83% 5 Search POLARIZATION+PROPAGATORS Search POLARIZATION+PROPAGATORS
8 GAS PHASE NMR 64199 0% 60% 6 Search GAS+PHASE+NMR Search GAS+PHASE+NMR
9 NMR SHIELDING CONSTANTS 63691 0% 71% 5 Search NMR+SHIELDING+CONSTANTS Search NMR+SHIELDING+CONSTANTS
10 CHEMICAL SHIFT 61007 4% 5% 63 Search CHEMICAL+SHIFT Search CHEMICAL+SHIFT

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 HELGAKER, T , JASZUNSKI, M , RUUD, K , (1999) AB INITIO METHODS FOR THE CALCULATION OF NMR SHIELDING AND INDIRECT SPIN-SPIN COUPLING CONSTANTS.CHEMICAL REVIEWS. VOL. 99. ISSUE 1. P. 293 -352 129 48% 962
2 ZHENG, S , AUTSCHBACH, J , (2009) RELATIVISTIC COMPUTATIONS OF NMR PARAMETERS FROM FIRST PRINCIPLES: THEORY AND APPLICATIONS.ANNUAL REPORTS ON NMR SPECTROSCOPY, VOL 67. VOL. 67. ISSUE . P. 1 -95 119 51% 74
3 LODEWYK, MW , SIEBERT, MR , TANTILLO, DJ , (2012) COMPUTATIONAL PREDICTION OF H-1 AND C-13 CHEMICAL SHIFTS: A USEFUL TOOL FOR NATURAL PRODUCT, MECHANISTIC, AND SYNTHETIC ORGANIC CHEMISTRY.CHEMICAL REVIEWS. VOL. 112. ISSUE 3. P. 1839 -1862 82 40% 208
4 FACELLI, JC , (2011) CHEMICAL SHIFT TENSORS: THEORY AND APPLICATION TO MOLECULAR STRUCTURAL PROBLEMS.PROGRESS IN NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY. VOL. 58. ISSUE 3-4. P. 176 -201 83 52% 31
5 ILIAS, M , SAUE, T , ENEVOLDSEN, T , JENSEN, HJA , (2009) GAUGE ORIGIN INDEPENDENT CALCULATIONS OF NUCLEAR MAGNETIC SHIELDINGS IN RELATIVISTIC FOUR-COMPONENT THEORY.JOURNAL OF CHEMICAL PHYSICS. VOL. 131. ISSUE 12. P. - 58 73% 23
6 WOLINSKI, K , HINTON, JF , PULAY, P , (1990) EFFICIENT IMPLEMENTATION OF THE GAUGE-INDEPENDENT ATOMIC ORBITAL METHOD FOR NMR CHEMICAL-SHIFT CALCULATIONS.JOURNAL OF THE AMERICAN CHEMICAL SOCIETY. VOL. 112. ISSUE 23. P. 8251-8260 30 67% 4100
7 HOLMES, ST , IULIUCCI, RJ , MUELLER, KT , DYBOWSKI, C , (2015) CRITICAL ANALYSIS OF CLUSTER MODELS AND EXCHANGE-CORRELATION FUNCTIONALS FOR CALCULATING MAGNETIC SHIELDING IN MOLECULAR SOLIDS.JOURNAL OF CHEMICAL THEORY AND COMPUTATION. VOL. 11. ISSUE 11. P. 5229 -5241 71 43% 8
8 BUHL, M , (2008) DFT COMPUTATIONS OF TRANSITION-METAL CHEMICAL SHIFTS.ANNUAL REPORTS ON NMR SPECTROSCOPY, VOL 64. VOL. 64. ISSUE . P. 77-126 82 45% 23
9 ROUKALA, J , MALDONADO, AF , VAARA, J , AUCAR, GA , LANTTO, P , (2011) RELATIVISTIC EFFECTS ON GROUP-12 METAL NUCLEAR SHIELDINGS.PHYSICAL CHEMISTRY CHEMICAL PHYSICS. VOL. 13. ISSUE 47. P. 21016-21025 45 78% 10
10 OLEJNICZAK, M , BAST, R , SAUE, T , PECUL, M , (2012) A SIMPLE SCHEME FOR MAGNETIC BALANCE IN FOUR-COMPONENT RELATIVISTIC KOHN-SHAM CALCULATIONS OF NUCLEAR MAGNETIC RESONANCE SHIELDING CONSTANTS IN A GAUSSIAN BASIS.JOURNAL OF CHEMICAL PHYSICS. VOL. 136. ISSUE 1. P. - 47 66% 26

Classes with closest relation at Level 1


Rank Class id link
1 8745 SOPPA//SPIN SPIN COUPLING CONSTANTS//CARBON CARBON SPIN SPIN COUPLING CONSTANTS
2 19037 BIOMAG BANK//PROT DATA BANK EUROPE//CHEMICAL SHIFT
3 31611 NITROGEN SHIELDINGS//NITROGEN CHEMICAL SHIFTS//NITROGEN NMR SHIELDINGS
4 17411 PHOSPHORUS CHEMICAL SHIFT TENSORS//3 HYDROXY 1 ADAMANTANECARBOXYLIC ACID//CADMIUM THIOCYANATES
5 22346 DEUTERIUM ISOTOPE EFFECTS//LONG RANGE ISOTOPE EFFECTS//SOLVENT SUBSTRATE PROTON EXCHANGE
6 37457 VESTNIK LENINGRADSKOGO UNIVERSITETA SERIYA FIZIKA KHIMIYA//HARMONIC FORCE FIELD//OPTIKA I SPEKTROSKOPIYA
7 30495 H 1 CHEMICAL SHIFTS//17 KETOSTEROID GLUCURONIDES//1H CHEMICAL SHIFTS
8 35815 DIAMAGNETIC MOLECULES//ELE ON QUAN PHYS LASERS//FLUORESCENCE PROTEIN CHROMOPHORES
9 18954 O 17 NMR//O 17 NMR CHEMICAL SHIFTS//NATURAL ABUNDANCE O 17 NMR SPECTRA
10 4216 RELATIVISTIC BASIS SETS//CORRELATING FUNCTIONS//RELATIVISTIC EFFECTS

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