Class information for:
Level 1: DFTB//SCC DFTB//SELF CONSISTENT CHARGE DENSITY FUNCTIONAL TIGHT BINDING METHOD

Basic class information
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
6 4 CHEMISTRY, ORGANIC//CHEMISTRY, INORGANIC & NUCLEAR//CHEMISTRY, MULTIDISCIPLINARY 1698077
60 3       PHYSICS, ATOMIC, MOLECULAR & CHEMICAL//CHEMISTRY, PHYSICAL//JOURNAL OF CHEMICAL PHYSICS 92506
573 2             JOURNAL OF CHEMICAL THEORY AND COMPUTATION//PHYSICS, ATOMIC, MOLECULAR & CHEMICAL//QUANTUM THEORY GRP 14899
27610 1                   DFTB//SCC DFTB//SELF CONSISTENT CHARGE DENSITY FUNCTIONAL TIGHT BINDING METHOD 245

Terms with highest relevance score


rank Category termType chi_square shrOfCwithTerm shrOfTermInClass termInClass
1 DFTB authKW 567767 7% 28% 16
2 SCC DFTB authKW 343029 3% 33% 8
3 SELF CONSISTENT CHARGE DENSITY FUNCTIONAL TIGHT BINDING METHOD authKW 257280 1% 100% 2
4 DENSITY FUNCTIONAL TIGHT BINDING authKW 225109 3% 25% 7
5 SELF CONSISTENT CHARGE DENSITY FUNCTIONAL TIGHT BINDING authKW 171519 1% 67% 2
6 BREMEN COMPUTAT MAT SCI address 130413 7% 6% 17
7 3 BENZOTHIAZOLE 9 ETHYL CARBAZOLE authKW 128640 0% 100% 1
8 3D POLYMORPHS authKW 128640 0% 100% 1
9 APPROXIMATE DFT HAMILTONIAN authKW 128640 0% 100% 1
10 BREATHING ORBITALS VALENCE BOND THEORY authKW 128640 0% 100% 1

Web of Science journal categories


chi_square_rank Category chi_square shrOfCwithTerm shrOfTermInClass termInClass
1 Physics, Atomic, Molecular & Chemical 3523 47% 0% 115
2 Chemistry, Physical 2237 62% 0% 153
3 Nanoscience & Nanotechnology 85 7% 0% 18
4 Chemistry, Multidisciplinary 79 14% 0% 35
5 Materials Science, Multidisciplinary 75 16% 0% 38
6 Physics, Condensed Matter 73 11% 0% 27
7 Mathematics, Interdisciplinary Applications 37 3% 0% 8
8 Physics, Applied 10 7% 0% 18
9 Microscopy 2 0% 0% 1
10 Mathematical & Computational Biology 2 1% 0% 2

Address terms


chi_square_rank term chi_square shrOfCwithTerm shrOfTermInClass termInClass
1 BREMEN COMPUTAT MAT SCI 130413 7% 6% 17
2 C NANOPHASE MAT SCI 128640 0% 100% 1
3 CHERRY EMERSON SCI COMP 128640 0% 100% 1
4 HIGHER TECHNOL PL SCI EC 128640 0% 100% 1
5 HBEREICH NATURWISSEN AFT 64319 0% 50% 1
6 JAMES FRANCK COMPUTAT 64319 0% 50% 1
7 OIL GAS IL 64319 0% 50% 1
8 ABT MOL BIOPHYS 60930 1% 16% 3
9 MOL MODELING CERMM 50332 1% 13% 3
10 BEIJING FAILURE CORROS PROTECT 42879 0% 33% 1

Journals


chi_square_rank term chi_square shrOfCwithTerm shrOfTermInClass termInClass
1 JOURNAL OF CHEMICAL THEORY AND COMPUTATION 37912 16% 1% 38
2 WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE 1783 1% 1% 2
3 THEORETICAL CHEMISTRY ACCOUNTS 1607 2% 0% 6
4 JOURNAL OF PHYSICAL CHEMISTRY A 1353 7% 0% 18
5 JOURNAL OF COMPUTATIONAL CHEMISTRY 1299 3% 0% 8
6 JOURNAL OF CHEMICAL PHYSICS 753 9% 0% 23
7 PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS 634 4% 0% 10
8 INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 552 3% 0% 7
9 MOLECULAR SIMULATION 424 1% 0% 3
10 ADVANCES IN PROTEIN CHEMISTRY 391 0% 0% 1

Author Key Words


chi_square_rank term chi_square shrOfCwithTerm shrOfTermInClass termInClass LCSH search Wikipedia search
1 DFTB 567767 7% 28% 16 Search DFTB Search DFTB
2 SCC DFTB 343029 3% 33% 8 Search SCC+DFTB Search SCC+DFTB
3 SELF CONSISTENT CHARGE DENSITY FUNCTIONAL TIGHT BINDING METHOD 257280 1% 100% 2 Search SELF+CONSISTENT+CHARGE+DENSITY+FUNCTIONAL+TIGHT+BINDING+METHOD Search SELF+CONSISTENT+CHARGE+DENSITY+FUNCTIONAL+TIGHT+BINDING+METHOD
4 DENSITY FUNCTIONAL TIGHT BINDING 225109 3% 25% 7 Search DENSITY+FUNCTIONAL+TIGHT+BINDING Search DENSITY+FUNCTIONAL+TIGHT+BINDING
5 SELF CONSISTENT CHARGE DENSITY FUNCTIONAL TIGHT BINDING 171519 1% 67% 2 Search SELF+CONSISTENT+CHARGE+DENSITY+FUNCTIONAL+TIGHT+BINDING Search SELF+CONSISTENT+CHARGE+DENSITY+FUNCTIONAL+TIGHT+BINDING
6 3 BENZOTHIAZOLE 9 ETHYL CARBAZOLE 128640 0% 100% 1 Search 3+BENZOTHIAZOLE+9+ETHYL+CARBAZOLE Search 3+BENZOTHIAZOLE+9+ETHYL+CARBAZOLE
7 3D POLYMORPHS 128640 0% 100% 1 Search 3D+POLYMORPHS Search 3D+POLYMORPHS
8 APPROXIMATE DFT HAMILTONIAN 128640 0% 100% 1 Search APPROXIMATE+DFT+HAMILTONIAN Search APPROXIMATE+DFT+HAMILTONIAN
9 BREATHING ORBITALS VALENCE BOND THEORY 128640 0% 100% 1 Search BREATHING+ORBITALS+VALENCE+BOND+THEORY Search BREATHING+ORBITALS+VALENCE+BOND+THEORY
10 COHESIVEENERGIES 128640 0% 100% 1 Search COHESIVEENERGIES Search COHESIVEENERGIES

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.

Classes with closest relation at Level 1


rank cluster_id2 link
1 15031 LINK ATOM//EXTREMELY LOCALIZED MOLECULAR ORBITALS//QM MM
2 31483 AL DOPED GRAPHENE//NANOSTRUCTURE ADSORBENT//QAEMSHAHR BRANCH
3 3203 COMPUTAT MOL SCI TECHNOL//JOURNAL OF CHEMICAL THEORY AND COMPUTATION//MULLIKEN THEORET CHEM
4 4136 LINEAR SCALING//KOHN SHAM EQUATION//KOHN SHAM DENSITY FUNCTIONAL THEORY
5 19720 ALKALI METAL NITRIDES//CDSE CLUSTERS//LEAD TELLURIDE CLUSTERS
6 36997 HIGH PERFORMANCE SIMULATION//AMORPHOUS TITANIA GROWTH//ASSISTED ION DEPOSITION
7 8127 CHIM THEOR PL//GRP CHIM PHYS THEOR STRUCT//JOURNAL OF CHEMICAL THEORY AND COMPUTATION
8 12743 THEORY EXPERIMENT CORRELATION//QUANTUM CHEMICAL EVALUATION//SEMIEMPIRICAL MO THEORY
9 6796 ELONGATION METHOD//QLE THEORET CHEM//FRAGMENT MOLECULAR ORBITAL METHOD
10 11225 ZUNDEL CATION//PROTONATED WATER CLUSTERS//HYDRONIUM ION

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