Class information for:
Level 1: EXTREMELY LOCALIZED MOLECULAR ORBITALS//ASEP MD//LINK ATOM

Basic class information
ID Publications Average number
of references		 Avg. shr. active
ref. in WoS
13800 749 59.3 74%


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 EXTREMELY LOCALIZED MOLECULAR ORBITALS Author keyword 15 88% 1% 7
2 ASEP MD Author keyword 9 83% 1% 5
3 LINK ATOM Author keyword 6 100% 1% 4
4 LINK ATOMS Author keyword 6 100% 1% 4
5 QM MM METHODS Author keyword 5 38% 1% 11
6 QM MM Author keyword 5 11% 5% 41
7 CLUSTER ELECTRONIC STRUCTURE Author keyword 3 100% 0% 3
8 CRYSTAL ELECTRONIC STRUCTURE Author keyword 3 100% 0% 3
9 EFFECTIVE GROUP POTENTIALS Author keyword 3 100% 0% 3
10 TURBOMOLE Author keyword 3 60% 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 EXTREMELY LOCALIZED MOLECULAR ORBITALS 15 88% 1% 7 Search EXTREMELY+LOCALIZED+MOLECULAR+ORBITALS Search EXTREMELY+LOCALIZED+MOLECULAR+ORBITALS
2 ASEP MD 9 83% 1% 5 Search ASEP+MD Search ASEP+MD
3 LINK ATOM 6 100% 1% 4 Search LINK+ATOM Search LINK+ATOM
4 LINK ATOMS 6 100% 1% 4 Search LINK+ATOMS Search LINK+ATOMS
5 QM MM METHODS 5 38% 1% 11 Search QM+MM+METHODS Search QM+MM+METHODS
6 QM MM 5 11% 5% 41 Search QM+MM Search QM+MM
7 CLUSTER ELECTRONIC STRUCTURE 3 100% 0% 3 Search CLUSTER+ELECTRONIC+STRUCTURE Search CLUSTER+ELECTRONIC+STRUCTURE
8 CRYSTAL ELECTRONIC STRUCTURE 3 100% 0% 3 Search CRYSTAL+ELECTRONIC+STRUCTURE Search CRYSTAL+ELECTRONIC+STRUCTURE
9 EFFECTIVE GROUP POTENTIALS 3 100% 0% 3 Search EFFECTIVE+GROUP+POTENTIALS Search EFFECTIVE+GROUP+POTENTIALS
10 TURBOMOLE 3 60% 0% 3 Search TURBOMOLE Search TURBOMOLE

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 ORBITAL GHO METHOD 38 69% 4% 33
2 LINK ATOM METHOD 32 80% 3% 20
3 COMBINED QUANTUM 26 39% 7% 53
4 QM MM METHODS 21 38% 6% 45
5 MOLECULAR MECHANICAL METHODS 21 73% 2% 16
6 HYBRID QM MM 17 79% 1% 11
7 TRANSITION STATE OPTIMIZATION 17 63% 2% 17
8 CONSISTENT FIELD METHOD 15 23% 7% 56
9 GHO METHOD 15 73% 1% 11
10 HYBRID QUANTUM 14 38% 4% 29

Journals

Reviews


Title Publ. year Cit. Active references % act. ref.
to same field
QM/MM Methods for Biomolecular Systems 2009 607 550 26%
Free energies of chemical reactions in solution and in enzymes with ab initio quantum mechanics/molecular mechanics methods 2008 185 141 36%
Theoretical Modeling of Large Molecular Systems. Advances in the Local Self Consistent Field Method for Mixed Quantum Mechanics/Molecular Mechanics Calculations 2013 9 53 58%
QM/MM studies of enzymes 2007 142 48 40%
Computer simulations of enzyme catalysis: Methods, progress, and insights 2003 301 59 27%
The ONIOM Method and Its Applications 2015 4 1125 14%
Redistributed charge and dipole schemes for combined quantum mechanical and molecular mechanical calculations 2005 67 102 63%
Quantum mechanical methods for enzyme kinetics 2002 456 219 20%
QUASI: A general purpose implementation of the QM/MM approach and its application to problems in catalysis 2003 358 83 19%
QM/MM methods for biological systems 2007 195 624 21%

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 CHEM SGM418 2 50% 0.4% 3
2 JEAN PIERRE EBEL CEA 1 100% 0.3% 2
3 DYNAMO DYNAMOP 1 40% 0.3% 2
4 BIOMOL INTERDISCIPLINARY STUDIES IND PLIC 1 18% 0.5% 4
5 IRSAMCUMR 5626 1 21% 0.4% 3
6 COMPUTER AIDED SYST 1 50% 0.1% 1
7 EMLS 1 50% 0.1% 1
8 MSU BIOL MODELING 1 50% 0.1% 1
9 PROPULS SCI BRANCH 1 50% 0.1% 1
10 QUIM COMPUTAC FES ZARAGOZA 1 50% 0.1% 1

Related classes at same level (level 1)


Rank Relatedness score Related classes
1 0.0000267189 SELF CONSISTENT CLUSTER EMBEDDING CALCULATION//FREE CLUSTER CALCULATION//CHIM PHYS 30
2 0.0000211334 DFTB//DENSITY FUNCTIONAL TIGHT BINDING//GHAEMSHAHR BRANCH
3 0.0000164940 AB INITIO QUANTUM MECHANICAL//NITROSTYRENE DERIVATIVES//SEMIEMPIRICAL QUANTUM MECHANICAL
4 0.0000156903 POLARIZABLE CONTINUUM MODEL//NONEQUILIBRIUM SOLVATION//SOLVATION ANALYSIS
5 0.0000148606 ELONGATION METHOD//INCREMENTAL SCHEME//MOLECULAR TAILORING APPROACH
6 0.0000143012 POLARIZABLE FORCE FIELD//HYBRIDIZATION DISPLACEMENT CHARGE//EXCHANGE REPULSION
7 0.0000119774 DIHYDROFOLATE REDUCTASE//HYDROGEN TUNNELING//PROMOTING VIBRATION
8 0.0000118730 VALLEY RIDGE INFLECTION POINT//NEWTON TRAJECTORY//GRADIENT EXTREMAL
9 0.0000112581 ENVIRONM IND CHEM//ONE STEP PERTURBATION//SAMPL4
10 0.0000090909 2 METHYLCITRIC ACID CYCLE//PROPIONATE CATABOLISM//PROPIONATE METABOLISM