Class information for:
Level 2: PHYSICS, ATOMIC, MOLECULAR & CHEMICAL//JOURNAL OF CHEMICAL THEORY AND COMPUTATION//JOURNAL OF COMPUTATIONAL CHEMISTRY

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
2676 1                   GEN INORGAN THEORET CHEM//VIROL MTZ//HYDRATION STRUCTURE 2207
3373 1                   POLYMER STUDIES//AMORPHOUS ICE//SUPERCOOLED WATER 2030
4262 1                   FREE ENERGY CALCULATIONS//FREE ENERGY PERTURBATION//THERMODYNAMIC INTEGRATION 1850
4506 1                   POISSON BOLTZMANN EQUATION//POISSON BOLTZMANN//IMPLICIT SOLVENT MODEL 1806
6273 1                   POLARIZABLE FORCE FIELD//HYBRIDIZATION DISPLACEMENT CHARGE//ELECTRONEGATIVITY EQUALIZATION METHOD 1533
6710 1                   DIPARTIMENTO SCI BIOL AMBIENTALI//WORK OF CAVITY CREATION//CONVERGENCE TEMPERATURES 1478
7530 1                   NONEQUILIBRIUM SOLVATION//POLARIZABLE CONTINUUM MODEL//SOLVENT REORGANIZATION ENERGY 1382
8019 1                   WATER CLUSTERS//WATER DIMER//IND ECOL 1327
10257 1                   HOFMEISTER EFFECT//CHONGQING SOIL MULTISCALE INTER IAL PRO//SPECIFIC ION EFFECTS 1109
12481 1                   RISM//REFERENCE INTERACTION SITE MODEL//ADV ENERGY UTILIZAT 933
12862 1                   EWALD SUM//EWALD SUMMATION//EWALD METHOD 906
14896 1                   PKA PREDICTION//ELECTRODE POTENTIALS//CPCM 769
15031 1                   LINK ATOM//EXTREMELY LOCALIZED MOLECULAR ORBITALS//QM MM 762
18644 1                   JOINT ULTRAFAST DYNAM SOLUT INTER ES JULI//METHODS RUMENTAT SYNCHROTRON RADIAT RE//X RAY RAMAN SCATTERING 566
19197 1                   ADAPTIVE FORCE MATCHING//BARANYAI KISS MODEL//MULTI PARTICLE MOVE MC 540
32935 1                   FAR ULTRAVIOLET SPECTROSCOPY//PERTURBED MATRIX METHOD//SUPERCOMP UNIV 145

Terms with highest relevance score


rank Category termType chi_square shrOfCwithTerm shrOfTermInClass termInClass
1 PHYSICS, ATOMIC, MOLECULAR & CHEMICAL WoSSC 192513 39% 2% 7600
2 JOURNAL OF CHEMICAL THEORY AND COMPUTATION journal 191449 4% 16% 761
3 JOURNAL OF COMPUTATIONAL CHEMISTRY journal 189365 4% 14% 857
4 CHEMISTRY, PHYSICAL WoSSC 164005 60% 1% 11667
5 JOURNAL OF CHEMICAL PHYSICS journal 149417 15% 3% 2848
6 GEN INORGAN THEORET CHEM address 112927 1% 34% 207
7 JOURNAL OF PHYSICAL CHEMISTRY B journal 81566 7% 4% 1411
8 SOLVATION authKW 63033 1% 16% 241
9 POLARIZABLE FORCE FIELD authKW 57273 0% 70% 50
10 SOLVATION FREE ENERGY authKW 51215 0% 51% 62

Web of Science journal categories


chi_square_rank Category chi_square shrOfCwithTerm shrOfTermInClass termInClass
1 Physics, Atomic, Molecular & Chemical 192513 39% 2% 7600
2 Chemistry, Physical 164005 60% 1% 11667
3 Chemistry, Multidisciplinary 7906 16% 0% 3026
4 Biophysics 2821 5% 0% 1049
5 Computer Science, Interdisciplinary Applications 1972 3% 0% 655
6 Physics, Mathematical 821 3% 0% 490
7 Mathematics, Interdisciplinary Applications 637 2% 0% 346
8 Physics, Multidisciplinary 628 4% 0% 853
9 Biochemistry & Molecular Biology 281 8% 0% 1603
10 Physics, Fluids & Plasmas 179 1% 0% 254

Address terms


chi_square_rank term chi_square shrOfCwithTerm shrOfTermInClass termInClass
1 GEN INORGAN THEORET CHEM 112927 1% 34% 207
2 THEORET CHEM 33738 2% 5% 459
3 VIROL MTZ 30227 0% 77% 24
4 POLYMER STUDIES 28651 1% 13% 136
5 CHONGQING SOIL MULTISCALE INTER IAL PRO 22358 0% 51% 27
6 CHEM 21591 24% 0% 4555
7 JOINT ULTRAFAST DYNAM SOLUT INTER ES JULI 19379 0% 57% 21
8 DIPARTIMENTO SCI BIOL AMBIENTALI 17204 0% 22% 48
9 METHODS MAT DEV 14560 0% 41% 22
10 PHYS T37 13857 0% 61% 14

Journals


chi_square_rank term chi_square shrOfCwithTerm shrOfTermInClass termInClass
1 JOURNAL OF CHEMICAL THEORY AND COMPUTATION 191449 4% 16% 761
2 JOURNAL OF COMPUTATIONAL CHEMISTRY 189365 4% 14% 857
3 JOURNAL OF CHEMICAL PHYSICS 149417 15% 3% 2848
4 JOURNAL OF PHYSICAL CHEMISTRY B 81566 7% 4% 1411
5 CHEMICAL PHYSICS LETTERS 27641 5% 2% 918
6 MOLECULAR PHYSICS 27615 2% 4% 445
7 JOURNAL OF PHYSICAL CHEMISTRY A 20240 3% 2% 629
8 JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN 19645 1% 8% 149
9 THEORETICAL CHEMISTRY ACCOUNTS 16896 1% 6% 174
10 MOLECULAR SIMULATION 14807 1% 6% 158

Author Key Words


chi_square_rank term chi_square shrOfCwithTerm shrOfTermInClass termInClass LCSH search Wikipedia search
1 SOLVATION 63033 1% 16% 241 Search SOLVATION Search SOLVATION
2 POLARIZABLE FORCE FIELD 57273 0% 70% 50 Search POLARIZABLE+FORCE+FIELD Search POLARIZABLE+FORCE+FIELD
3 SOLVATION FREE ENERGY 51215 0% 51% 62 Search SOLVATION+FREE+ENERGY Search SOLVATION+FREE+ENERGY
4 HYDRATION FREE ENERGY 48198 0% 74% 40 Search HYDRATION+FREE+ENERGY Search HYDRATION+FREE+ENERGY
5 FREE ENERGY CALCULATIONS 43278 0% 30% 89 Search FREE+ENERGY+CALCULATIONS Search FREE+ENERGY+CALCULATIONS
6 ELECTROSTATICS 40616 1% 15% 168 Search ELECTROSTATICS Search ELECTROSTATICS
7 POISSON BOLTZMANN EQUATION 40582 0% 27% 91 Search POISSON+BOLTZMANN+EQUATION Search POISSON+BOLTZMANN+EQUATION
8 FREE ENERGY PERTURBATION 39808 0% 44% 56 Search FREE+ENERGY+PERTURBATION Search FREE+ENERGY+PERTURBATION
9 PKA PREDICTION 39574 0% 81% 30 Search PKA+PREDICTION Search PKA+PREDICTION
10 WATER CLUSTERS 37451 1% 22% 105 Search WATER+CLUSTERS Search WATER+CLUSTERS

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 2


rank cluster_id2 link
1 2461 HP MODEL//ENHANCED SAMPLING//JOURNAL OF CHEMICAL THEORY AND COMPUTATION
2 3164 HYDRATION WATER//PROTEIN HYDRATION//DYNAMICAL TRANSITION
3 1820 STERLING CHEM//PHYSICS, ATOMIC, MOLECULAR & CHEMICAL//SOLVATED ELECTRON
4 866 KIRKWOOD CORRELATION FACTOR//MULTIDIMENS SPECT//JOURNAL OF MOLECULAR LIQUIDS
5 2745 SLIP LENGTH//NANOFLUIDICS//THERMOMOL ENERGET
6 3437 KS PITZER THEORET CHEM//SETTLING CHAMBER//COMBUST ENERGY FRONTIER
7 1871 DISSIPATIVE PARTICLE DYNAMICS//MOLECULAR SIMULATION//REAXFF
8 2666 FUKUI FUNCTION//CONCEPTUAL DFT//EENHEID ALGEMENE CHEM
9 3364 POROUS GLASS//THERMOPOROSIMETRY//UNITA RIC ROMA TRE
10 573 JOURNAL OF CHEMICAL THEORY AND COMPUTATION//PHYSICS, ATOMIC, MOLECULAR & CHEMICAL//QUANTUM THEORY GRP

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