Class information for:
Level 1: GROUP EQUIVALENTS//SIMULATION OF MASS SPECTRA//BOND EQUIVALENTS

Basic class information
Class id #P Avg. number of
references		 Database coverage
of references
23499 344 34.6 48%


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
1146 2             JOURNAL OF MOLECULAR STRUCTURE//ROTATIONAL SPECTROSCOPY//MICROWAVE SPECTROSCOPY 9523
23499 1                   GROUP EQUIVALENTS//SIMULATION OF MASS SPECTRA//BOND EQUIVALENTS 344

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 GROUP EQUIVALENTS authKW 355060 1% 100% 4
2 SIMULATION OF MASS SPECTRA authKW 284046 1% 80% 4
3 BOND EQUIVALENTS authKW 266295 1% 100% 3
4 COMPUTAT MOL STRUCT DESIGN address 250612 3% 24% 12
5 ELECTRON IMPACT MASS SPECTRA authKW 236704 1% 67% 4
6 ECOL SAFETY address 208330 4% 18% 13
7 ATOM EQUIVALENTS authKW 177530 1% 100% 2
8 HIGH RESOLUTION MASS MEASUREMENT authKW 177530 1% 100% 2
9 NOVEL SEDIMENT CONTAMINANTS authKW 177530 1% 100% 2
10 PROTOBRANCHING authKW 177530 1% 100% 2

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 Chemistry, Physical 1059 38% 0% 130
2 Chemistry, Multidisciplinary 911 34% 0% 118
3 Chemistry, Organic 842 23% 0% 80
4 Physics, Atomic, Molecular & Chemical 584 17% 0% 59
5 Computer Science, Interdisciplinary Applications 101 5% 0% 18
6 Spectroscopy 97 5% 0% 18
7 Education, Scientific Disciplines 65 2% 0% 8
8 Crystallography 24 3% 0% 10
9 Biophysics 14 3% 0% 12
10 Chemistry, Inorganic & Nuclear 6 3% 0% 9

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 STRUCT DESIGN 250612 3% 24% 12
2 ECOL SAFETY 208330 4% 18% 13
3 CHIM PHYS INTER ES MILIEUX ELE OLYT EA 88765 0% 100% 1
4 FRSC CHEM DYNAM GEOSPHERE AGROSPHERE 4 88765 0% 100% 1
5 MECANISMES REACTIONELES 88765 0% 100% 1
6 PROJECTGRP CHEM CO2 88765 0% 100% 1
7 SYNTHESE PHYSICO CHIM ORGAN THER EUT EA 38 88765 0% 100% 1
8 THEORET ORGAN CHEM FUNCT MOLHUNAN PROV 88765 0% 100% 1
9 ST PETERSBURG ECOL SAFETY 67238 1% 15% 5
10 CHEM COMPUTAT MOL STRUCT DESIGN 29587 0% 33% 1

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 COMPUTATIONAL CHEMISTRY 11357 8% 0% 28
2 EUROPEAN MASS SPECTROMETRY 5584 1% 2% 4
3 JOURNAL OF PHYSICAL ORGANIC CHEMISTRY 4394 4% 0% 13
4 EUROPEAN JOURNAL OF MASS SPECTROMETRY 2287 1% 1% 5
5 JOURNAL OF PHYSICAL CHEMISTRY A 2141 8% 0% 27
6 STRUCTURAL CHEMISTRY 1682 2% 0% 7
7 JOURNAL OF MOLECULAR MODELING 1568 2% 0% 8
8 JOURNAL OF ORGANIC CHEMISTRY 1432 8% 0% 29
9 JOURNAL OF PHYSICAL CHEMISTRY 1419 6% 0% 20
10 JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM 1301 4% 0% 13

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 GROUP EQUIVALENTS 355060 1% 100% 4 Search GROUP+EQUIVALENTS Search GROUP+EQUIVALENTS
2 SIMULATION OF MASS SPECTRA 284046 1% 80% 4 Search SIMULATION+OF+MASS+SPECTRA Search SIMULATION+OF+MASS+SPECTRA
3 BOND EQUIVALENTS 266295 1% 100% 3 Search BOND+EQUIVALENTS Search BOND+EQUIVALENTS
4 ELECTRON IMPACT MASS SPECTRA 236704 1% 67% 4 Search ELECTRON+IMPACT+MASS+SPECTRA Search ELECTRON+IMPACT+MASS+SPECTRA
5 ATOM EQUIVALENTS 177530 1% 100% 2 Search ATOM+EQUIVALENTS Search ATOM+EQUIVALENTS
6 HIGH RESOLUTION MASS MEASUREMENT 177530 1% 100% 2 Search HIGH+RESOLUTION+MASS+MEASUREMENT Search HIGH+RESOLUTION+MASS+MEASUREMENT
7 NOVEL SEDIMENT CONTAMINANTS 177530 1% 100% 2 Search NOVEL+SEDIMENT+CONTAMINANTS Search NOVEL+SEDIMENT+CONTAMINANTS
8 PROTOBRANCHING 177530 1% 100% 2 Search PROTOBRANCHING Search PROTOBRANCHING
9 AROMATIC IONS 133144 1% 50% 3 Search AROMATIC+IONS Search AROMATIC+IONS
10 MOLECULAR MECHANICS MM4 CALCULATIONS 118352 1% 67% 2 Search MOLECULAR+MECHANICS+MM4+CALCULATIONS Search MOLECULAR+MECHANICS+MM4+CALCULATIONS

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 LUO, YR , BENSON, SW , (1997) HEATS OF FORMATION OF ALKYL FLUORIDES.JOURNAL OF PHYSICAL CHEMISTRY A. VOL. 101. ISSUE 16. P. 3042-3044 19 70% 29
2 LEE, MCJ , SMITH, DW , (2009) CORRELATIONS BETWEEN MO EIGENVECTORS AND ENTHALPIES OF FORMATION FOR SIMPLE ORGANIC SUBSTANCES.THERMOCHIMICA ACTA. VOL. 495. ISSUE 1-2. P. 14-21 22 41% 0
3 DETAR, DF , (1999) THERMOCHEMICAL VALUES OF OXYGEN-CONTAINING COMPOUNDS FROM AB INITIO CALCULATIONS. 1. ENTHALPIES OF FORMATION OF ETHERS AND ALCOHOLS.JOURNAL OF PHYSICAL CHEMISTRY A. VOL. 103. ISSUE 35. P. 7055 -7068 21 50% 5
4 LUO, YR , HOLMES, JL , (1994) SIGMA-PI AND ETA-PI STABILIZATION ENERGIES IN VINYL, AND PHENYL COMPOUNDS.JOURNAL OF PHYSICAL ORGANIC CHEMISTRY. VOL. 7. ISSUE 8. P. 403-411 16 70% 12
5 POUTSMA, ML , (2011) THE RADICAL STABILIZATION ENERGY OF A SUBSTITUTED CARBON-CENTERED FREE RADICAL DEPENDS ON BOTH THE FUNCTIONALITY OF THE SUBSTITUENT AND THE ORDINALITY OF THE RADICAL.JOURNAL OF ORGANIC CHEMISTRY. VOL. 76. ISSUE 1. P. 270-276 13 46% 11
6 ZAVITSAS, AA , ROGERS, DW , MATSUNAGA, N , (2010) HEATS OF FORMATION OF ORGANIC COMPOUNDS BY A SIMPLE CALCULATION.JOURNAL OF ORGANIC CHEMISTRY. VOL. 75. ISSUE 19. P. 6502-6515 16 39% 1
7 LII, JH , CHEN, KH , ALLINGER, NL , (2004) ALCOHOLS, ETHERS, CARBOHYDRATES, AND RELATED COMPOUNDS PART V. THE BOHLMANN TORSIONAL EFFECT.JOURNAL OF PHYSICAL CHEMISTRY A. VOL. 108. ISSUE 15. P. 3006-3015 11 65% 18
8 ROUSSEAU, E , MATHIEU, D , (2000) ATOM EQUIVALENTS FOR CONVERTING DFT ENERGIES CALCULATED ON MOLECULAR MECHANICS STRUCTURES TO FORMATION ENTHALPIES.JOURNAL OF COMPUTATIONAL CHEMISTRY. VOL. 21. ISSUE 5. P. 367 -379 19 42% 14
9 VERICAT, C , CASTRO, EA , (1996) AN IMPROVED SIMPLIFIED SCHEME OF ATOM EQUIVALENTS TO RELATE AB INITIO ENERGIES TO ENTHALPIES OF FORMATION.MATCH-COMMUNICATIONS IN MATHEMATICAL AND IN COMPUTER CHEMISTRY. VOL. . ISSUE 34. P. 167-177 11 85% 0
10 LII, JH , ALLINGER, NL , (2009) ON THE HEATS OF FORMATION OF ALKANES.JOURNAL OF THE MEXICAN CHEMICAL SOCIETY. VOL. 53. ISSUE 3. P. 96-107 11 55% 2

Classes with closest relation at Level 1


Rank Class id link
1 4950 HALL ATWATER S CHEM//BASIS SET EXTRAPOLATION//CORRELATION CONSISTENT BASIS SETS
2 17278 RADICALS STABILITY OF//BOND CLEAVAGE C C KINETICS OF//GEMINAL SUBSTITUENTS ENERGETIC INTERACTION OF
3 22083 GAUCHE EFFECT//GATES CRELLIN S CHEM//EXCELLENCE CLUSTER EXC 1003
4 1818 ENTHALPY OF SUBLIMATION//COMBUSTION CALORIMETRY//ENTHALPY OF VAPORIZATION
5 36401 AQUEOUS FE2//AQUEOUS FE3//C P MO
6 18895 AB INITIO MO STUDY//DIPEPTIDE WATER COMPLEX//GIOCOMMS
7 32290 COMMON ENGN ECOL//3D AND 4D QSAR//CHIRAL LIGANDS AND COMPLEXES
8 15227 FENESTRANES//TRIBENZOTRIQUINACENES//TRIQUINACENES
9 15567 GAS ELECTRON DIFFRACTION//BISTRIMETHYLSTANNYLACETYLENE//DISILYLAMINE
10 31225 1 2 3 TRIPHENYLPROPANE SKELETON//1 2 DISUBSTITUTED 1 2 DIPHENYLETHANES//1 ACYLAMINO 4 T BUTYLCYCLOHEXANE ACETIC ACIDS

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