Class information for:
Level 1: NONEQUILIBRIUM SOLVATION//POLARIZABLE CONTINUUM MODEL//SOLVENT REORGANIZATION ENERGY

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
156 3       PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS//PROTEIN FOLDING//PROTEIN STRUCTURE PREDICTION 63028
269 2             PHYSICS, ATOMIC, MOLECULAR & CHEMICAL//JOURNAL OF CHEMICAL THEORY AND COMPUTATION//JOURNAL OF COMPUTATIONAL CHEMISTRY 19343
7530 1                   NONEQUILIBRIUM SOLVATION//POLARIZABLE CONTINUUM MODEL//SOLVENT REORGANIZATION ENERGY 1382

Terms with highest relevance score


rank Category termType chi_square shrOfCwithTerm shrOfTermInClass termInClass
1 NONEQUILIBRIUM SOLVATION authKW 197083 1% 79% 11
2 POLARIZABLE CONTINUUM MODEL authKW 161021 2% 25% 28
3 SOLVENT REORGANIZATION ENERGY authKW 139656 1% 44% 14
4 SOLVATION ANALYSIS authKW 111733 1% 70% 7
5 CONSTRAINED EQUILIBRIUM authKW 97288 1% 53% 8
6 TEACHING OF THEORETICAL CHEMISTRY authKW 91214 0% 100% 4
7 DIPARTIMENTO CHIM CHIM IND address 87471 8% 3% 116
8 POLARIZABLE EMBEDDING authKW 81438 0% 71% 5
9 FARM FARM UNITAT FISICOQUIM address 74624 0% 55% 6
10 MST MODEL authKW 72970 0% 80% 4

Web of Science journal categories


chi_square_rank Category chi_square shrOfCwithTerm shrOfTermInClass termInClass
1 Physics, Atomic, Molecular & Chemical 20531 48% 0% 659
2 Chemistry, Physical 18688 75% 0% 1039
3 Mathematics, Interdisciplinary Applications 946 6% 0% 88
4 Chemistry, Multidisciplinary 769 18% 0% 244
5 Chemistry, Organic 7 3% 0% 39
6 Biophysics 6 2% 0% 27
7 Computer Science, Interdisciplinary Applications 5 1% 0% 17
8 Biochemical Research Methods 1 1% 0% 18
9 Materials Science, Characterization, Testing -0 0% 0% 2
10 Crystallography -0 1% 0% 9

Address terms


chi_square_rank term chi_square shrOfCwithTerm shrOfTermInClass termInClass
1 DIPARTIMENTO CHIM CHIM IND 87471 8% 3% 116
2 FARM FARM UNITAT FISICOQUIM 74624 0% 55% 6
3 QUANTUM CHEM MOL ENERGET 51821 0% 45% 5
4 HC ORSTED 46047 2% 7% 29
5 CHIM THEOR CNRS URA 510 BP 239 45607 0% 100% 2
6 ESTUDIOS SUPER CIENCIAS BASICAS 45607 0% 100% 2
7 SUPER CIENCIAS BASICAS 45607 0% 100% 2
8 UMR 7598 7616 41044 0% 60% 3
9 UMR 7551 CNRS ULP 30403 0% 67% 2
10 SUPERCOMP 28291 3% 3% 43

Journals


chi_square_rank term chi_square shrOfCwithTerm shrOfTermInClass termInClass
1 JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM 25807 8% 1% 114
2 JOURNAL OF COMPUTATIONAL CHEMISTRY 22568 6% 1% 79
3 JOURNAL OF CHEMICAL THEORY AND COMPUTATION 20183 5% 1% 66
4 THEORETICAL CHEMISTRY ACCOUNTS 16052 3% 2% 45
5 INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 13936 6% 1% 83
6 JOURNAL OF CHEMICAL PHYSICS 10946 15% 0% 206
7 JOURNAL OF PHYSICAL CHEMISTRY A 4947 6% 0% 82
8 HYBRIDOMA 3886 1% 1% 19
9 ADVANCES IN QUANTUM CHEMISTRY 3295 1% 1% 10
10 CHEMICAL PHYSICS LETTERS 2896 6% 0% 79

Author Key Words


chi_square_rank term chi_square shrOfCwithTerm shrOfTermInClass termInClass LCSH search Wikipedia search
1 NONEQUILIBRIUM SOLVATION 197083 1% 79% 11 Search NONEQUILIBRIUM+SOLVATION Search NONEQUILIBRIUM+SOLVATION
2 POLARIZABLE CONTINUUM MODEL 161021 2% 25% 28 Search POLARIZABLE+CONTINUUM+MODEL Search POLARIZABLE+CONTINUUM+MODEL
3 SOLVENT REORGANIZATION ENERGY 139656 1% 44% 14 Search SOLVENT+REORGANIZATION+ENERGY Search SOLVENT+REORGANIZATION+ENERGY
4 SOLVATION ANALYSIS 111733 1% 70% 7 Search SOLVATION+ANALYSIS Search SOLVATION+ANALYSIS
5 CONSTRAINED EQUILIBRIUM 97288 1% 53% 8 Search CONSTRAINED+EQUILIBRIUM Search CONSTRAINED+EQUILIBRIUM
6 TEACHING OF THEORETICAL CHEMISTRY 91214 0% 100% 4 Search TEACHING+OF+THEORETICAL+CHEMISTRY Search TEACHING+OF+THEORETICAL+CHEMISTRY
7 POLARIZABLE EMBEDDING 81438 0% 71% 5 Search POLARIZABLE+EMBEDDING Search POLARIZABLE+EMBEDDING
8 MST MODEL 72970 0% 80% 4 Search MST+MODEL Search MST+MODEL
9 SOLVENT SHIFTS 72970 0% 80% 4 Search SOLVENT+SHIFTS Search SOLVENT+SHIFTS
10 TWO SPHERE MODEL 72970 0% 80% 4 Search TWO+SPHERE+MODEL Search TWO+SPHERE+MODEL

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 14896 PKA PREDICTION//ELECTRODE POTENTIALS//CPCM
2 15031 LINK ATOM//EXTREMELY LOCALIZED MOLECULAR ORBITALS//QM MM
3 30257 NITROGEN SHIELDINGS//NITROGEN CHEMICAL SHIFTS//QOM BRANCH
4 6273 POLARIZABLE FORCE FIELD//HYBRIDIZATION DISPLACEMENT CHARGE//ELECTRONEGATIVITY EQUALIZATION METHOD
5 8127 CHIM THEOR PL//GRP CHIM PHYS THEOR STRUCT//JOURNAL OF CHEMICAL THEORY AND COMPUTATION
6 27167 SELF CONSISTENT CLUSTER EMBEDDING CALCULATION//FREE CLUSTER CALCULATION//FROZEN DENSITY EMBEDDING
7 4506 POISSON BOLTZMANN EQUATION//POISSON BOLTZMANN//IMPLICIT SOLVENT MODEL
8 32935 FAR ULTRAVIOLET SPECTROSCOPY//PERTURBED MATRIX METHOD//SUPERCOMP UNIV
9 18973 CARBOXYLATE HYDRATION//POTENTIAL ENERGY SURFACE AB INITIO CALCULATIONS//VIA CHALCOPHILES
10 20163 2 AND 4 HYDROXYPYRIDINES//HYDROGEN BOND ASSOCIATIONS//HYDROXYAZINES

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