Class information for:
Level 1: DFT BLYP//GIOCOMMS//AB INITIO MO STUDY

Basic class information

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
6 4 CHEMISTRY, ORGANIC//CHEMISTRY, INORGANIC & NUCLEAR//CHEMISTRY, MULTIDISCIPLINARY 1698077
60 3       PHYSICS, ATOMIC, MOLECULAR & CHEMICAL//CHEMISTRY, PHYSICAL//JOURNAL OF CHEMICAL PHYSICS 92506
1189 2             JOURNAL OF MOLECULAR STRUCTURE//ROTATIONAL SPECTROSCOPY//MICROWAVE SPECTROSCOPY 9601
19625 1                   DFT BLYP//GIOCOMMS//AB INITIO MO STUDY 520

Terms with highest relevance score



rank Category termType chi_square shrOfCwithTerm shrOfTermInClass termInClass
1 DFT BLYP authKW 242433 1% 100% 4
2 GIOCOMMS address 228440 1% 54% 7
3 AB INITIO MO STUDY authKW 218185 1% 60% 6
4 DIPEPTIDE WATER COMPLEX authKW 181824 1% 100% 3
5 CHEM CHEM INFORMAT address 174593 2% 26% 11
6 JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM journal 174063 35% 2% 181
7 MULTIDIMENSIONAL CONFORMATIONAL ANALYSIS authKW 161619 1% 67% 4
8 ATOMIC NUMBERING authKW 121216 0% 100% 2
9 CONFORMATIONAL GEOMETRY FUNCTIONS authKW 121216 0% 100% 2
10 L ISOLEUCINE RESIDUE authKW 121216 0% 100% 2

Web of Science journal categories



chi_square_rank Category chi_square shrOfCwithTerm shrOfTermInClass termInClass
1 Chemistry, Physical 4881 63% 0% 329
2 Chemistry, Multidisciplinary 533 23% 0% 118
3 Physics, Atomic, Molecular & Chemical 522 13% 0% 70
4 Biophysics 74 5% 0% 28
5 Mathematics, Interdisciplinary Applications 34 2% 0% 12
6 Spectroscopy 23 3% 0% 13
7 Computer Science, Interdisciplinary Applications 15 2% 0% 11
8 Biochemistry & Molecular Biology 12 9% 0% 47
9 Crystallography 5 2% 0% 8
10 Mathematical & Computational Biology 1 1% 0% 3

Address terms



chi_square_rank term chi_square shrOfCwithTerm shrOfTermInClass termInClass
1 GIOCOMMS 228440 1% 54% 7
2 CHEM CHEM INFORMAT 174593 2% 26% 11
3 CHIM THEOR CNRS UA 510 96968 1% 40% 4
4 500 MARYVILLE DR 60608 0% 100% 1
5 ALLGEMEINE PHARMA FOR 60608 0% 100% 1
6 CHIM THEOR CNR UA 510 60608 0% 100% 1
7 CHIM THEOR CNRS UA 510 BP 239 60608 0% 100% 1
8 CORT ADELERS GT 30 60608 0% 100% 1
9 DEP EIKUNDE 3 60608 0% 100% 1
10 EQUIPE CHIM THEOR ELE OCHIM ENVIRONM CT2E 60608 0% 100% 1

Journals



chi_square_rank term chi_square shrOfCwithTerm shrOfTermInClass termInClass
1 JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM 174063 35% 2% 181
2 THEOCHEM-JOURNAL OF MOLECULAR STRUCTURE 41221 3% 5% 14
3 JOURNAL OF COMPUTATIONAL CHEMISTRY 9846 6% 1% 32
4 JOURNAL OF MOLECULAR STRUCTURE 3722 7% 0% 36
5 BIOPOLYMERS 2060 3% 0% 15
6 ELECTRONIC JOURNAL OF THEORETICAL CHEMISTRY 1164 0% 2% 1
7 CANADIAN JOURNAL OF CHEMISTRY 850 2% 0% 9
8 JOURNAL OF MOLECULAR MODELING 762 1% 0% 7
9 INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 760 2% 0% 12
10 JOURNAL OF PHYSICAL CHEMISTRY A 619 3% 0% 18

Author Key Words



chi_square_rank term chi_square shrOfCwithTerm shrOfTermInClass termInClass LCSH search Wikipedia search
1 DFT BLYP 242433 1% 100% 4 Search DFT+BLYP Search DFT+BLYP
2 AB INITIO MO STUDY 218185 1% 60% 6 Search AB+INITIO+MO+STUDY Search AB+INITIO+MO+STUDY
3 DIPEPTIDE WATER COMPLEX 181824 1% 100% 3 Search DIPEPTIDE+WATER+COMPLEX Search DIPEPTIDE+WATER+COMPLEX
4 MULTIDIMENSIONAL CONFORMATIONAL ANALYSIS 161619 1% 67% 4 Search MULTIDIMENSIONAL+CONFORMATIONAL+ANALYSIS Search MULTIDIMENSIONAL+CONFORMATIONAL+ANALYSIS
5 ATOMIC NUMBERING 121216 0% 100% 2 Search ATOMIC+NUMBERING Search ATOMIC+NUMBERING
6 CONFORMATIONAL GEOMETRY FUNCTIONS 121216 0% 100% 2 Search CONFORMATIONAL+GEOMETRY+FUNCTIONS Search CONFORMATIONAL+GEOMETRY+FUNCTIONS
7 L ISOLEUCINE RESIDUE 121216 0% 100% 2 Search L+ISOLEUCINE+RESIDUE Search L+ISOLEUCINE+RESIDUE
8 N ACETYL L ALANINE 121216 0% 100% 2 Search N+ACETYL+L+ALANINE Search N+ACETYL+L+ALANINE
9 N ACETYL L TRYPTOPHAN N METHYLAMIDE 121216 0% 100% 2 Search N+ACETYL+L+TRYPTOPHAN+N+METHYLAMIDE Search N+ACETYL+L+TRYPTOPHAN+N+METHYLAMIDE
10 PEPTIDE COMPUTATIONS 121216 0% 100% 2 Search PEPTIDE+COMPUTATIONS Search PEPTIDE+COMPUTATIONS

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.

Classes with closest relation at Level 1



rank cluster_id2 link
1 26566 AB INITIO AND B3LYP CALCULATIONS//AC PRO NHME//AC PRO NME2
2 35252 STEROIDAL RING CONFORMATION//MIA METHOD//TRIAMCINOLONE DIACETATE
3 5320 PROTON AFFINITY//KINETIC METHOD//PROTONATION ENTROPY
4 22168 COMPUTAT MOL STRUCT DESIGN//MONOSUBSTITUTED ALKANE//GROUP EQUIVALENTS
5 18505 SILYLBENZENES//BISTRIMETHYLSTANNYLACETYLENE//DISILYLAMINE
6 6084 BIOPOLYMER//310 HELIX//C ALPHA TETRASUBSTITUTED ALPHA AMINO ACIDS
7 16243 BAKER CHEM CHEM BIOL//UNRES FORCE FIELD//CONFORMATIONAL SPACE ANNEALING
8 20387 CTCC//POTENTIAL TO INTERNAL ROTATION//SYNTH ACTIVAT BIOMOL
9 17079 ALPHA BETA DEHYDROAMINO ACIDS//DEHYDROPHENYLALANINE//DEHYDROPEPTIDE
10 38731 ENERGY STABILITY OF THE STRUCTURE//INCREMENT OF THE METHYLENE GROUP//METHYLENE GROUP INCREMENT

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