Class information for:
Level 1: POLARIZABLE CONTINUUM MODEL//NONEQUILIBRIUM SOLVATION//SOLVATION ANALYSIS

Basic class information
ID Publications Average number
of references		 Avg. shr. active
ref. in WoS
4751 1657 50.4 64%


Bar chart of Publication_year

Last years might be incomplete

Classes in level above (level 2)


ID, lev.
above		 Publications Label for level above
377 16473 JOURNAL OF CHEMICAL THEORY AND COMPUTATION//QUANTUM THEORY GRP//OPTIMIZED EFFECTIVE POTENTIAL

Terms with highest relevance score


Rank Term Type of term Relevance score
(tfidf)		 Class's shr.
of term's tot.
occurrences		 Shr. of publ.
in class containing
term		 Num. of
publ. in
class
1 POLARIZABLE CONTINUUM MODEL Author keyword 13 33% 2% 33
2 NONEQUILIBRIUM SOLVATION Author keyword 10 73% 0% 8
3 SOLVATION ANALYSIS Author keyword 8 70% 0% 7
4 PKA PREDICTION Author keyword 7 41% 1% 14
5 MST MODEL Author keyword 6 80% 0% 4
6 SOLVENT SHIFTS Author keyword 6 80% 0% 4
7 SOLVENT REORGANIZATION ENERGY Author keyword 6 39% 1% 12
8 CONSTRAINED EQUILIBRIUM Author keyword 4 47% 0% 7
9 AQUEOUS PKA Author keyword 4 75% 0% 3
10 CLUSTER CONTINUUM MODEL Author keyword 4 75% 0% 3

Web of Science journal categories

Author Key Words


Rank Web of Science journal category Relevance score
(tfidf)		 Class's shr.
of term's tot.
occurrences		 Shr. of publ.
in class containing
term		 Num. of
publ. in
class		 LCSH search Wikipedia search
1 POLARIZABLE CONTINUUM MODEL 13 33% 2% 33 Search POLARIZABLE+CONTINUUM+MODEL Search POLARIZABLE+CONTINUUM+MODEL
2 NONEQUILIBRIUM SOLVATION 10 73% 0% 8 Search NONEQUILIBRIUM+SOLVATION Search NONEQUILIBRIUM+SOLVATION
3 SOLVATION ANALYSIS 8 70% 0% 7 Search SOLVATION+ANALYSIS Search SOLVATION+ANALYSIS
4 PKA PREDICTION 7 41% 1% 14 Search PKA+PREDICTION Search PKA+PREDICTION
5 MST MODEL 6 80% 0% 4 Search MST+MODEL Search MST+MODEL
6 SOLVENT SHIFTS 6 80% 0% 4 Search SOLVENT+SHIFTS Search SOLVENT+SHIFTS
7 SOLVENT REORGANIZATION ENERGY 6 39% 1% 12 Search SOLVENT+REORGANIZATION+ENERGY Search SOLVENT+REORGANIZATION+ENERGY
8 CONSTRAINED EQUILIBRIUM 4 47% 0% 7 Search CONSTRAINED+EQUILIBRIUM Search CONSTRAINED+EQUILIBRIUM
9 AQUEOUS PKA 4 75% 0% 3 Search AQUEOUS+PKA Search AQUEOUS+PKA
10 CLUSTER CONTINUUM MODEL 4 75% 0% 3 Search CLUSTER+CONTINUUM+MODEL Search CLUSTER+CONTINUUM+MODEL

Key Words Plus


Rank Web of Science journal category Relevance score
(tfidf)		 Class's shr.
of term's tot.
occurrences		 Shr. of publ.
in class containing
term		 Num. of
publ. in
class
1 INTEGRAL EQUATION FORMALISM 40 51% 3% 55
2 ANALYTICAL DERIVATIVES 37 55% 3% 47
3 PI ASTERISK TRANSITION 36 83% 1% 20
4 REACTION FIELD THEORY 34 43% 4% 60
5 POLARIZABLE CONTINUUM MODEL 34 12% 16% 260
6 COMPLETE BASIS SET 34 29% 6% 98
7 SIMPLE COMPUTATIONAL MODEL 31 48% 3% 47
8 CONSISTENT REACTION FIELD 29 77% 1% 20
9 ANISOTROPIC DIELECTRICS 27 23% 6% 100
10 NONEQUILIBRIUM SOLVATION 23 23% 5% 88

Journals

Reviews


Title Publ. year Cit. Active references % act. ref.
to same field
Universal Solvation Model Based on Solute Electron Density and on a Continuum Model of the Solvent Defined by the Bulk Dielectric Constant and Atomic Surface Tensions 2009 1467 96 77%
Quantum mechanical continuum solvation models 2005 4598 699 28%
A universal approach to solvation modeling 2008 200 54 56%
A universal approach for continuum solvent pK(a) calculations: are we there yet? 2010 155 115 67%
Adding explicit solvent molecules to continuum solvent calculations for the calculation of aqueous acid dissociation constants 2006 217 81 67%
Aqueous solvation free energies of ions and ion-water clusters based on an accurate value for the absolute aqueous solvation free energy of the proton 2006 305 81 48%
Self-consistent reaction field model for aqueous and nonaqueous solutions based on accurate polarized partial charges 2007 182 93 61%
MOLECULAR-INTERACTIONS IN SOLUTION - AN OVERVIEW OF METHODS BASED ON CONTINUOUS DISTRIBUTIONS OF THE SOLVENT 1994 3541 385 33%
Implicit solvation models: Equilibria, structure, spectra, and dynamics 1999 1477 689 28%
Single-ion solvation free energies and the normal hydrogen electrode potential in methanol, acetonitrile, and dimethyl sulfoxide 2007 167 101 50%

Address terms


Rank Address term Relevance score
(tfidf)		 Class's shr.
of term's tot.
occurrences		 Shr. of publ.
in class containing
term		 Num. of
publ.
in class
1 QUANTUM CHEM MOL ENERGET 3 45% 0.3% 5
2 UMR 7551 CNRS ULP 2 67% 0.1% 2
3 CERAM CHEM 1 100% 0.1% 2
4 ESTUDIOS SUPER CIENCIAS BASICAS 1 100% 0.1% 2
5 SPECT ATOM MOL 1 100% 0.1% 2
6 SUPER CIENCIAS BASICAS 1 100% 0.1% 2
7 SUPERCOMP CHEM 1 50% 0.1% 2
8 UMR 7598 7616 1 50% 0.1% 2
9 UNITAT MODELITZACIO MOL BIOINFORMAT 1 33% 0.2% 3
10 CALCUL SIMULAT 1 25% 0.2% 4

Related classes at same level (level 1)


Rank Relatedness score Related classes
1 0.0000202042 EXCELLENCE ELE OCHEM//ELECTRODE POTENTIALS//ANTICOAGULANT COMPOUND
2 0.0000156903 EXTREMELY LOCALIZED MOLECULAR ORBITALS//ASEP MD//LINK ATOM
3 0.0000124631 3S 5R 6R 6 ACETYLAMIDOPENICILLANIC ACID//BETA LACTAM COMPOUNDS//PIPER LOLOT
4 0.0000123117 POISSON BOLTZMANN EQUATION//POISSON BOLTZMANN//BIOMOLECULAR ELECTROSTATICS
5 0.0000101306 POLARIZABLE FORCE FIELD//HYBRIDIZATION DISPLACEMENT CHARGE//EXCHANGE REPULSION
6 0.0000080376 VALENCE TOPOLOGICAL CHARGE TRANSFER INDEX//UNIV CIENCIA MOL//ELLIPTICAL DEFORMATION
7 0.0000079700 ENVIRONM IND CHEM//ONE STEP PERTURBATION//SAMPL4
8 0.0000078410 SELF CONSISTENT CLUSTER EMBEDDING CALCULATION//FREE CLUSTER CALCULATION//CHIM PHYS 30
9 0.0000077053 COMPUTAT CHEM//COMPUTAT QUANTUM CHEM//MOE THEORET ENVIRONM CHEM
10 0.0000076558 TIME DEPENDENT DENSITY FUNCTIONAL THEORY//GRP CHIM PHYS THEOR STRUCT//CHIM THEOR PL