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

Basic class information
Class id #P Avg. number of
references		 Database coverage
of references
7776 1329 51.7 63%


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
3 3       PHYSICS, ATOMIC, MOLECULAR & CHEMICAL//JOURNAL OF CHEMICAL PHYSICS//CHEMISTRY, PHYSICAL 183883
384 2             PHYSICS, ATOMIC, MOLECULAR & CHEMICAL//JOURNAL OF COMPUTATIONAL CHEMISTRY//CHEMISTRY, PHYSICAL 17031
7776 1                   POLARIZABLE CONTINUUM MODEL//SOLVATION ANALYSIS//POLARIZABLE EMBEDDING 1329

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 POLARIZABLE CONTINUUM MODEL authKW 189655 2% 28% 30
2 SOLVATION ANALYSIS authKW 112571 1% 70% 7
3 POLARIZABLE EMBEDDING authKW 95726 0% 83% 5
4 HC ORSTED address 93438 3% 10% 41
5 TEACHING OF THEORETICAL CHEMISTRY authKW 91898 0% 100% 4
6 DIPARTIMENTO CHIM CHIM IND address 75518 8% 3% 106
7 MST MODEL authKW 73517 0% 80% 4
8 SOLVENT SHIFTS authKW 73517 0% 80% 4
9 AIM BONDING ANALYSIS authKW 68924 0% 100% 3
10 FRACTIONAL SOLVATION authKW 68924 0% 100% 3

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 Physics, Atomic, Molecular & Chemical 22431 51% 0% 677
2 Chemistry, Physical 19245 78% 0% 1031
3 Mathematics, Interdisciplinary Applications 1121 7% 0% 93
4 Chemistry, Multidisciplinary 651 17% 0% 223
5 Computer Science, Interdisciplinary Applications 15 2% 0% 21
6 Biophysics 7 2% 0% 27
7 Nanoscience & Nanotechnology 0 1% 0% 16
8 Materials Science, Characterization, Testing -0 0% 0% 2
9 Crystallography -0 1% 0% 9
10 Mathematical & Computational Biology -0 0% 0% 4

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 HC ORSTED 93438 3% 10% 41
2 DIPARTIMENTO CHIM CHIM IND 75518 8% 3% 106
3 QUANTUM CHEM MOL ENERGET 52209 0% 45% 5
4 CHIM THEOR CNRS URA 510 BP 239 45949 0% 100% 2
5 UMR 7598 7616 41352 0% 60% 3
6 DRUG DESIGN DEV 31550 2% 5% 27
7 PHYS CHEM PHARM 31056 2% 5% 28
8 UMR 7551 CNRS ULP 30631 0% 67% 2
9 CALCUL SIMULAT 26670 0% 19% 6
10 SUPERCOMP 25539 3% 3% 40

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 21045 6% 1% 75
2 JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM 20947 8% 1% 102
3 JOURNAL OF CHEMICAL THEORY AND COMPUTATION 17948 5% 1% 60
4 INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 15930 7% 1% 88
5 THEORETICAL CHEMISTRY ACCOUNTS 13230 3% 1% 40
6 JOURNAL OF CHEMICAL PHYSICS 12690 16% 0% 219
7 JOURNAL OF PHYSICAL CHEMISTRY A 6413 7% 0% 92
8 ADVANCES IN QUANTUM CHEMISTRY 3320 1% 1% 10
9 THEORETICA CHIMICA ACTA 3226 1% 1% 14
10 CHEMICAL PHYSICS LETTERS 3188 6% 0% 82

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 POLARIZABLE CONTINUUM MODEL 189655 2% 28% 30 Search POLARIZABLE+CONTINUUM+MODEL Search POLARIZABLE+CONTINUUM+MODEL
2 SOLVATION ANALYSIS 112571 1% 70% 7 Search SOLVATION+ANALYSIS Search SOLVATION+ANALYSIS
3 POLARIZABLE EMBEDDING 95726 0% 83% 5 Search POLARIZABLE+EMBEDDING Search POLARIZABLE+EMBEDDING
4 TEACHING OF THEORETICAL CHEMISTRY 91898 0% 100% 4 Search TEACHING+OF+THEORETICAL+CHEMISTRY Search TEACHING+OF+THEORETICAL+CHEMISTRY
5 MST MODEL 73517 0% 80% 4 Search MST+MODEL Search MST+MODEL
6 SOLVENT SHIFTS 73517 0% 80% 4 Search SOLVENT+SHIFTS Search SOLVENT+SHIFTS
7 AIM BONDING ANALYSIS 68924 0% 100% 3 Search AIM+BONDING+ANALYSIS Search AIM+BONDING+ANALYSIS
8 FRACTIONAL SOLVATION 68924 0% 100% 3 Search FRACTIONAL+SOLVATION Search FRACTIONAL+SOLVATION
9 METAL CHELATION MECHANISM 68924 0% 100% 3 Search METAL+CHELATION+MECHANISM Search METAL+CHELATION+MECHANISM
10 CONTINUUM SOLVENT EFFECT 51691 0% 75% 3 Search CONTINUUM+SOLVENT+EFFECT Search CONTINUUM+SOLVENT+EFFECT

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 TOMASI, J , MENNUCCI, B , CAMMI, R , (2005) QUANTUM MECHANICAL CONTINUUM SOLVATION MODELS.CHEMICAL REVIEWS. VOL. 105. ISSUE 8. P. 2999 -3093 211 30% 5941
2 PERSICO, M , TOMASI, J , (1994) MOLECULAR-INTERACTIONS IN SOLUTION - AN OVERVIEW OF METHODS BASED ON CONTINUOUS DISTRIBUTIONS OF THE SOLVENT.CHEMICAL REVIEWS. VOL. 94. ISSUE 7. P. 2027 -2094 144 35% 3802
3 CRAMER, CJ , TRUHLAR, DG , (1999) IMPLICIT SOLVATION MODELS: EQUILIBRIA, STRUCTURE, SPECTRA, AND DYNAMICS.CHEMICAL REVIEWS. VOL. 99. ISSUE 8. P. 2161 -2200 187 26% 1580
4 LUQUE, FJ , CURUTCHET, C , MUNOZ-MURIEDAS, J , BIDON-CHANAL, A , SOTERAS, I , MORREALE, A , GELPI, JL , OROZCO, M , (2003) CONTINUUM SOLVATION MODELS: DISSECTING THE FREE ENERGY OF SOLVATION.PHYSICAL CHEMISTRY CHEMICAL PHYSICS. VOL. 5. ISSUE 18. P. 3827-3836 88 70% 57
5 COSSI, M , SCALMANI, G , REGA, N , BARONE, V , (2002) NEW DEVELOPMENTS IN THE POLARIZABLE CONTINUUM MODEL FOR QUANTUM MECHANICAL AND CLASSICAL CALCULATIONS ON MOLECULES IN SOLUTION.JOURNAL OF CHEMICAL PHYSICS. VOL. 117. ISSUE 1. P. 43 -54 40 69% 1581
6 LIPPARINI, F , MENNUCCI, B , (2016) PERSPECTIVE: POLARIZABLE CONTINUUM MODELS FOR QUANTUM-MECHANICAL DESCRIPTIONS.JOURNAL OF CHEMICAL PHYSICS. VOL. 144. ISSUE 16. P. - 56 71% 2
7 SCALMANI, G , FRISCH, MJ , (2010) CONTINUOUS SURFACE CHARGE POLARIZABLE CONTINUUM MODELS OF SOLVATION. I. GENERAL FORMALISM.JOURNAL OF CHEMICAL PHYSICS. VOL. 132. ISSUE 11. P. - 31 66% 540
8 POMOGAEVA, A , CHIPMAN, DM , (2015) COMPOSITE METHOD FOR IMPLICIT REPRESENTATION OF SOLVENT IN DIMETHYL SULFOXIDE AND ACETONITRILE.JOURNAL OF PHYSICAL CHEMISTRY A. VOL. 119. ISSUE 21. P. 5173 -5180 45 73% 6
9 CARICATO, M , (2013) A COMPARISON BETWEEN STATE-SPECIFIC AND LINEAR-RESPONSE FORMALISMS FOR THE CALCULATION OF VERTICAL ELECTRONIC TRANSITION ENERGY IN SOLUTION WITH THE CCSD-PCM METHOD.JOURNAL OF CHEMICAL PHYSICS. VOL. 139. ISSUE 4. P. - 53 64% 16
10 CARICATO, M , LIPPARINI, F , SCALMANI, G , CAPPELLI, C , BARONE, V , (2013) VERTICAL ELECTRONIC EXCITATIONS IN SOLUTION WITH THE EOM-CCSD METHOD COMBINED WITH A POLARIZABLE EXPLICIT/IMPLICIT SOLVENT MODEL.JOURNAL OF CHEMICAL THEORY AND COMPUTATION. VOL. 9. ISSUE 7. P. 3035-3042 44 67% 4

Classes with closest relation at Level 1


Rank Class id link
1 14628 PKA PREDICTION//ELECTRODE POTENTIALS//CPCM
2 15253 LINK ATOM//QM MM//EXTREMELY LOCALIZED MOLECULAR ORBITALS
3 26879 COSMO RS//COSMO SAC//COSMO RS PDHS
4 9267 CHIM THEOR PL//GRP CHIM PHYS THEOR STRUCT//JOURNAL OF CHEMICAL THEORY AND COMPUTATION
5 31611 NITROGEN SHIELDINGS//NITROGEN CHEMICAL SHIFTS//NITROGEN NMR SHIELDINGS
6 4443 POISSON BOLTZMANN EQUATION//POISSON BOLTZMANN//CONTINUUM ELECTROSTATICS
7 5252 POLARIZABLE FORCE FIELD//QUANTUM CHEMICAL TOPOLOGY//JOURNAL OF COMPUTATIONAL CHEMISTRY
8 19542 CARBOXYLATE HYDRATION//POTENTIAL ENERGY SURFACE AB INITIO CALCULATIONS//VIA CHALCOPHILES
9 30894 VALENCE TOPOLOGICAL CHARGE TRANSFER INDEX//UNIV CIENCIA MOL//ELLIPTICAL DEFORMATION
10 34997 CONNECTIVITY OF RESONANCE LINES//VIBRATIONAL WAVENUMBER//2 FUROYLFLUORIDE

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