Class information for:
Level 1: POLARIZABLE FORCE FIELD//QUANTUM CHEMICAL TOPOLOGY//JOURNAL OF COMPUTATIONAL CHEMISTRY

Basic class information
Class id #P Avg. number of
references		 Database coverage
of references
5252 1650 52.5 69%


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
5252 1                   POLARIZABLE FORCE FIELD//QUANTUM CHEMICAL TOPOLOGY//JOURNAL OF COMPUTATIONAL CHEMISTRY 1650

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 FORCE FIELD authKW 378068 2% 55% 37
2 QUANTUM CHEMICAL TOPOLOGY authKW 130415 1% 41% 17
3 JOURNAL OF COMPUTATIONAL CHEMISTRY journal 118583 12% 3% 198
4 MULTIPOLE MOMENTS authKW 86727 1% 25% 19
5 ELECTRONEGATIVITY EQUALIZATION METHOD authKW 84585 0% 57% 8
6 POTENTIAL DERIVED CHARGES authKW 83268 0% 75% 6
7 JOURNAL OF CHEMICAL THEORY AND COMPUTATION journal 77827 8% 3% 139
8 ATOMIC CHARGES authKW 75553 1% 17% 24
9 CHARGE EQUILIBRATION authKW 74934 1% 45% 9
10 ABEEM SIGMA PI POLARIZABLE FORCE FIELD authKW 74018 0% 100% 4

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 27203 50% 0% 831
2 Chemistry, Physical 17722 67% 0% 1111
3 Chemistry, Multidisciplinary 1709 23% 0% 376
4 Computer Science, Interdisciplinary Applications 338 4% 0% 74
5 Mathematics, Interdisciplinary Applications 182 3% 0% 47
6 Biophysics 33 3% 0% 46
7 Mathematical & Computational Biology 13 1% 0% 14
8 Physics, Mathematical 11 1% 0% 24
9 Crystallography 4 1% 0% 18
10 Computer Science, Information Systems 0 1% 0% 12

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 IFR BIOMED 66085 0% 71% 5
2 CNRUOS SLACS 60555 0% 55% 6
3 UFR INTERACT RAYONNEMENT MAT 37009 0% 100% 2
4 UMR 7616 30748 2% 6% 27
5 UMR 8601UFR BIOMED 27754 0% 50% 3
6 CHIM THEOR 26227 3% 3% 45
7 QCMM GHENT BRUSSELS ALLIANCE 24671 0% 67% 2
8 UR EGFEMLSIM 24671 0% 67% 2
9 BROWN 238 23788 0% 43% 3
10 CBNIT 23788 0% 43% 3

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 118583 12% 3% 198
2 JOURNAL OF CHEMICAL THEORY AND COMPUTATION 77827 8% 3% 139
3 JOURNAL OF CHEMICAL PHYSICS 15415 16% 0% 269
4 MOLECULAR PHYSICS 8715 4% 1% 73
5 THEORETICAL CHEMISTRY ACCOUNTS 5197 2% 1% 28
6 JOURNAL OF PHYSICAL CHEMISTRY B 5194 6% 0% 105
7 REVIEWS IN COMPUTATIONAL CHEMISTRY 4222 0% 6% 4
8 CHEMICAL PHYSICS LETTERS 4135 6% 0% 104
9 JOURNAL OF PHYSICAL CHEMISTRY A 3859 5% 0% 80
10 INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 3453 3% 0% 46

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 FORCE FIELD 378068 2% 55% 37 Search POLARIZABLE+FORCE+FIELD Search POLARIZABLE+FORCE+FIELD
2 QUANTUM CHEMICAL TOPOLOGY 130415 1% 41% 17 Search QUANTUM+CHEMICAL+TOPOLOGY Search QUANTUM+CHEMICAL+TOPOLOGY
3 MULTIPOLE MOMENTS 86727 1% 25% 19 Search MULTIPOLE+MOMENTS Search MULTIPOLE+MOMENTS
4 ELECTRONEGATIVITY EQUALIZATION METHOD 84585 0% 57% 8 Search ELECTRONEGATIVITY+EQUALIZATION+METHOD Search ELECTRONEGATIVITY+EQUALIZATION+METHOD
5 POTENTIAL DERIVED CHARGES 83268 0% 75% 6 Search POTENTIAL+DERIVED+CHARGES Search POTENTIAL+DERIVED+CHARGES
6 ATOMIC CHARGES 75553 1% 17% 24 Search ATOMIC+CHARGES Search ATOMIC+CHARGES
7 CHARGE EQUILIBRATION 74934 1% 45% 9 Search CHARGE+EQUILIBRATION Search CHARGE+EQUILIBRATION
8 ABEEM SIGMA PI POLARIZABLE FORCE FIELD 74018 0% 100% 4 Search ABEEM+SIGMA+PI+POLARIZABLE+FORCE+FIELD Search ABEEM+SIGMA+PI+POLARIZABLE+FORCE+FIELD
9 QUANTUM CHEMICAL TOPOLOGY QCT 74014 0% 67% 6 Search QUANTUM+CHEMICAL+TOPOLOGY+QCT Search QUANTUM+CHEMICAL+TOPOLOGY+QCT
10 POLARIZABLE 74010 0% 50% 8 Search POLARIZABLE Search POLARIZABLE

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 ROUX, B , MACKERELL, AD , LOPES, PEM , (2009) MOLECULAR MODELING AND DYNAMICS STUDIES WITH EXPLICIT INCLUSION OF ELECTRONIC POLARIZABILITY: THEORY AND APPLICATIONS.THEORETICAL CHEMISTRY ACCOUNTS. VOL. 124. ISSUE 1-2. P. 11 -28 146 49% 165
2 CISNEROS, GA , KARTTUNEN, M , REN, PY , SAGUI, C , (2014) CLASSICAL ELECTROSTATICS FOR BIOMOLECULAR SIMULATIONS.CHEMICAL REVIEWS. VOL. 114. ISSUE 1. P. 779 -814 156 30% 61
3 SHI, Y , REN, PY , SCHNIEDERS, M , PIQUEMAL, JP , (2015) POLARIZABLE FORCE FIELDS FOR BIOMOLECULAR MODELING.REVIEWS IN COMPUTATIONAL CHEMISTRY, VOL 28. VOL. 28. ISSUE . P. 51 -86 108 48% 7
4 MEI, Y , SIMMONETT, AC , PICKARD, FC , DISTASIO, RA , BROOKS, BR , SHAO, YH , (2015) NUMERICAL STUDY ON THE PARTITIONING OF THE MOLECULAR POLARIZABILITY INTO FLUCTUATING CHARGE AND INDUCED ATOMIC DIPOLE CONTRIBUTIONS.JOURNAL OF PHYSICAL CHEMISTRY A. VOL. 119. ISSUE 22. P. 5865 -5882 81 68% 1
5 LEMKUL, JA , HUANG, J , ROUX, B , MACKERELL, AD , (2016) AN EMPIRICAL POLARIZABLE FORCE FIELD BASED ON THE CLASSICAL DRUDE OSCILLATOR MODEL: DEVELOPMENT HISTORY AND RECENT APPLICATIONS.CHEMICAL REVIEWS. VOL. 116. ISSUE 9. P. 4983 -5013 83 40% 8
6 SHI, Y , XIA, Z , ZHANG, JJ , BEST, R , WU, CJ , PONDER, JW , REN, PY , (2013) POLARIZABLE ATOMIC MULTIPOLE-BASED AMOEBA FORCE FIELD FOR PROTEINS.JOURNAL OF CHEMICAL THEORY AND COMPUTATION. VOL. 9. ISSUE 9. P. 4046 -4063 64 49% 102
7 YANG, ZZ , WANG, JJ , ZHAO, DX , (2014) VALENCE STATE PARAMETERS OF ALL TRANSITION METAL ATOMS IN METALLOPROTEINS-DEVELOPMENT OF ABEEM SIGMA PI FLUCTUATING CHARGE FORCE FIELD.JOURNAL OF COMPUTATIONAL CHEMISTRY. VOL. 35. ISSUE 23. P. 1690 -1706 69 64% 4
8 CIEPLAK, P , DUPRADEAU, FY , DUAN, Y , WANG, JM , (2009) POLARIZATION EFFECTS IN MOLECULAR MECHANICAL FORCE FIELDS.JOURNAL OF PHYSICS-CONDENSED MATTER. VOL. 21. ISSUE 33. P. - 74 54% 109
9 DARLEY, MG , HANDLEY, CM , POPELIER, PLA , (2008) BEYOND POINT CHARGES: DYNAMIC POLARIZATION FROM NEURAL NET PREDICTED MULTIPOLE MOMENTS.JOURNAL OF CHEMICAL THEORY AND COMPUTATION. VOL. 4. ISSUE 9. P. 1435 -1448 65 71% 24
10 REN, PY , WU, CJ , PONDER, JW , (2011) POLARIZABLE ATOMIC MULTIPOLE-BASED MOLECULAR MECHANICS FOR ORGANIC MOLECULES.JOURNAL OF CHEMICAL THEORY AND COMPUTATION. VOL. 7. ISSUE 10. P. 3143-3161 65 48% 127

Classes with closest relation at Level 1


Rank Class id link
1 14253 ELONGATION METHOD//FRAGMENT MOLECULAR ORBITAL METHOD//THEORET COMPUTAT SCI
2 15253 LINK ATOM//QM MM//EXTREMELY LOCALIZED MOLECULAR ORBITALS
3 5802 THERMODYNAMIC INTEGRATION//FREE ENERGY CALCULATIONS//FREE ENERGY PERTURBATION
4 26982 HYBRIDIZATION DISPLACEMENT CHARGE//ATOMIC ORBITAL HYBRIDIZATION//BOYS LMO
5 13863 EWALD SUMMATION//EWALD SUM//EWALD METHOD
6 29357 IND ECOL//VISCOSITY AND DENSITY OF NAPHTHALENE SOLUTIONS//3D NONLINEAR EVOLUTIONARY PROBLEM
7 19635 OSS2 POTENTIAL//GROTTHUS CHAIN MECHANISM//PROTON DISCHARGE
8 7776 POLARIZABLE CONTINUUM MODEL//SOLVATION ANALYSIS//POLARIZABLE EMBEDDING
9 16237 CRYSTAL STRUCTURE PREDICTION//SOLID STATE GRP//INTERMOLECULAR FORCE FIELD
10 4654 WATER CLUSTERS//WATER DIMER//PHYSICS, ATOMIC, MOLECULAR & CHEMICAL

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