Class information for:
Level 1: ELONGATION METHOD//FRAGMENT MOLECULAR ORBITAL METHOD//THEORET COMPUTAT SCI

Basic class information
Class id #P Avg. number of
references		 Database coverage
of references
14253 781 49.1 78%


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
14253 1                   ELONGATION METHOD//FRAGMENT MOLECULAR ORBITAL METHOD//THEORET COMPUTAT SCI 781

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 ELONGATION METHOD authKW 689653 3% 84% 21
2 FRAGMENT MOLECULAR ORBITAL METHOD authKW 418881 2% 71% 15
3 THEORET COMPUTAT SCI address 354243 4% 28% 32
4 FRAGMENT MOLECULAR ORBITAL authKW 353073 2% 53% 17
5 SAFETY INFORMAT DRUG FOOD CHEM address 282252 2% 38% 19
6 EFFECTIVE FRAGMENT POTENTIAL authKW 227465 1% 73% 8
7 MOLECULAR TAILORING APPROACH authKW 175931 1% 75% 6
8 AB INITIO FMO authKW 156385 1% 100% 4
9 FRAGMENT MOLECULAR ORBITAL FMO authKW 156385 1% 100% 4
10 MOLECULAR TAILORING APPROACH MTA authKW 156385 1% 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 15838 56% 0% 435
2 Chemistry, Physical 8977 70% 0% 543
3 Chemistry, Multidisciplinary 571 20% 0% 154
4 Mathematics, Interdisciplinary Applications 247 4% 0% 35
5 Computer Science, Interdisciplinary Applications 119 4% 0% 31
6 Mathematical & Computational Biology 42 2% 0% 13
7 Chemistry, Medicinal 20 2% 0% 18
8 Crystallography 17 2% 0% 15
9 Biophysics 14 3% 0% 21
10 Biochemical Research Methods 2 2% 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 THEORET COMPUTAT SCI 354243 4% 28% 32
2 SAFETY INFORMAT DRUG FOOD CHEM 282252 2% 38% 19
3 SAFETY INFORMAT DRUGS FOOD CHEM 156385 1% 100% 4
4 SMART MOL 130886 3% 14% 24
5 ADVANCESOFT 125107 1% 80% 4
6 MFG IND SOLUT 1 125107 1% 80% 4
7 NRI 94810 4% 8% 32
8 SYST INFORMAT 88123 4% 7% 32
9 C T PROJECT 84031 3% 9% 23
10 NAKAMURA 73898 1% 17% 11

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 CHEMICAL THEORY AND COMPUTATION 40523 9% 2% 69
2 JOURNAL OF COMPUTATIONAL CHEMISTRY 22201 8% 1% 59
3 THEORETICAL CHEMISTRY ACCOUNTS 8797 3% 1% 25
4 JOURNAL OF CHEMICAL PHYSICS 6801 16% 0% 123
5 CHEMICAL PHYSICS LETTERS 6391 11% 0% 88
6 JOURNAL OF PHYSICAL CHEMISTRY A 4195 7% 0% 57
7 INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 3339 4% 0% 31
8 JOURNAL OF THEORETICAL & COMPUTATIONAL CHEMISTRY 2981 1% 1% 9
9 ACCOUNTS OF CHEMICAL RESEARCH 1739 2% 0% 14
10 JOURNAL OF MOLECULAR GRAPHICS & MODELLING 1681 1% 0% 9

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 ELONGATION METHOD 689653 3% 84% 21 Search ELONGATION+METHOD Search ELONGATION+METHOD
2 FRAGMENT MOLECULAR ORBITAL METHOD 418881 2% 71% 15 Search FRAGMENT+MOLECULAR+ORBITAL+METHOD Search FRAGMENT+MOLECULAR+ORBITAL+METHOD
3 FRAGMENT MOLECULAR ORBITAL 353073 2% 53% 17 Search FRAGMENT+MOLECULAR+ORBITAL Search FRAGMENT+MOLECULAR+ORBITAL
4 EFFECTIVE FRAGMENT POTENTIAL 227465 1% 73% 8 Search EFFECTIVE+FRAGMENT+POTENTIAL Search EFFECTIVE+FRAGMENT+POTENTIAL
5 MOLECULAR TAILORING APPROACH 175931 1% 75% 6 Search MOLECULAR+TAILORING+APPROACH Search MOLECULAR+TAILORING+APPROACH
6 AB INITIO FMO 156385 1% 100% 4 Search AB+INITIO+FMO Search AB+INITIO+FMO
7 FRAGMENT MOLECULAR ORBITAL FMO 156385 1% 100% 4 Search FRAGMENT+MOLECULAR+ORBITAL+FMO Search FRAGMENT+MOLECULAR+ORBITAL+FMO
8 MOLECULAR TAILORING APPROACH MTA 156385 1% 100% 4 Search MOLECULAR+TAILORING+APPROACH+MTA Search MOLECULAR+TAILORING+APPROACH+MTA
9 MOZYME 156385 1% 100% 4 Search MOZYME Search MOZYME
10 LINEAR SCALING METHODS 136830 1% 50% 7 Search LINEAR+SCALING+METHODS Search LINEAR+SCALING+METHODS

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 GORDON, MS , FEDOROV, DG , PRUITT, SR , SLIPCHENKO, LV , (2012) FRAGMENTATION METHODS: A ROUTE TO ACCURATE CALCULATIONS ON LARGE SYSTEMS.CHEMICAL REVIEWS. VOL. 112. ISSUE 1. P. 632 -672 296 59% 252
2 FEDOROV, DG , NAGATA, T , KITAURA, K , (2012) EXPLORING CHEMISTRY WITH THE FRAGMENT MOLECULAR ORBITAL METHOD.PHYSICAL CHEMISTRY CHEMICAL PHYSICS. VOL. 14. ISSUE 21. P. 7562 -7577 171 72% 76
3 COLLINS, MA , BETTENS, RPA , (2015) ENERGY-BASED MOLECULAR FRAGMENTATION METHODS.CHEMICAL REVIEWS. VOL. 115. ISSUE 12. P. 5607 -5642 121 62% 19
4 TANAKA, S , MOCHIZUKI, Y , KOMEIJI, Y , OKIYAMA, Y , FUKUZAWA, K , (2014) ELECTRON-CORRELATED FRAGMENT-MOLECULAR-ORBITAL CALCULATIONS FOR BIOMOLECULAR AND NANO SYSTEMS.PHYSICAL CHEMISTRY CHEMICAL PHYSICS. VOL. 16. ISSUE 22. P. 10310 -10344 144 49% 30
5 FEDOROV, DG , KITAURA, K , (2007) EXTENDING THE POWER OF QUANTUM CHEMISTRY TO LARGE SYSTEMS WITH THE FRAGMENT MOLECULAR ORBITAL METHOD.JOURNAL OF PHYSICAL CHEMISTRY A. VOL. 111. ISSUE 30. P. 6904 -6914 96 67% 244
6 FEDOROV, DG , ASADA, N , NAKANISHI, I , KITAURA, K , (2014) THE USE OF MANY-BODY EXPANSIONS AND GEOMETRY OPTIMIZATIONS IN FRAGMENT-BASED METHODS.ACCOUNTS OF CHEMICAL RESEARCH. VOL. 47. ISSUE 9. P. 2846 -2856 83 72% 6
7 RAGHAVACHARI, K , SAHA, A , (2015) ACCURATE COMPOSITE AND FRAGMENT-BASED QUANTUM CHEMICAL MODELS FOR LARGE MOLECULES.CHEMICAL REVIEWS. VOL. 115. ISSUE 12. P. 5643 -5677 92 46% 22
8 FEDOROV, DG , KITAURA, K , (2016) SUBSYSTEM ANALYSIS FOR THE FRAGMENT MOLECULAR ORBITAL METHOD AND ITS APPLICATION TO PROTEIN-LIGAND BINDING IN SOLUTION.JOURNAL OF PHYSICAL CHEMISTRY A. VOL. 120. ISSUE 14. P. 2218 -2231 63 73% 2
9 FEDOROV, DG , SLIPCHENKO, LV , KITAURA, K , (2010) SYSTEMATIC STUDY OF THE EMBEDDING POTENTIAL DESCRIPTION IN THE FRAGMENT MOLECULAR ORBITAL METHOD.JOURNAL OF PHYSICAL CHEMISTRY A. VOL. 114. ISSUE 33. P. 8742-8753 68 76% 16
10 LIU, J , HERBERT, JM , (2016) PAIR-PAIR APPROXIMATION TO THE GENERALIZED MANY-BODY EXPANSION: AN ALTERNATIVE TO THE FOUR-BODY EXPANSION FOR AB INITIO PREDICTION OF PROTEIN ENERGETICS VIA MOLECULAR FRAGMENTATION.JOURNAL OF CHEMICAL THEORY AND COMPUTATION. VOL. 12. ISSUE 2. P. 572 -584 43 74% 6

Classes with closest relation at Level 1


Rank Class id link
1 15253 LINK ATOM//QM MM//EXTREMELY LOCALIZED MOLECULAR ORBITALS
2 4566 ELECTRON REPULSION INTEGRALS//DENSITY FITTING//INCREMENTAL SCHEME
3 5252 POLARIZABLE FORCE FIELD//QUANTUM CHEMICAL TOPOLOGY//JOURNAL OF COMPUTATIONAL CHEMISTRY
4 26240 ANHARMONIC CALCULATION//CHEM PROBLEMS ECOL//QUANTUM SELF ASSEMBLY OF PHOTOSYNTHETIC CENTERS
5 21107 SEMIEMPIRICAL MO THEORY//NDDO//DFTB
6 3082 JOURNAL OF CHEMICAL THEORY AND COMPUTATION//COMPUTAT MOL SCI TECHNOL//MULLIKEN THEORET CHEM
7 17097 SELF CONSISTENT CLUSTER EMBEDDING CALCULATION//FREE CLUSTER CALCULATION//ORBITAL FREE DENSITY FUNCTIONAL THEORY
8 7776 POLARIZABLE CONTINUUM MODEL//SOLVATION ANALYSIS//POLARIZABLE EMBEDDING
9 9546 CHEMICAL HAMILTONIAN APPROACH//SYMMETRY ADAPTED PERTURBATION THEORY//BASIS SET SUPERPOSITION ERROR
10 4654 WATER CLUSTERS//WATER DIMER//PHYSICS, ATOMIC, MOLECULAR & CHEMICAL

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