Class information for: |
Basic class information |
| ID | Publications | Average number of references |
Avg. shr. active ref. in WoS |
|---|---|---|---|
| 26152 | 216 | 48.8 | 78% |
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 | DFTB | Author keyword | 3 | 26% | 5% | 11 |
| 2 | DENSITY FUNCTIONAL TIGHT BINDING | Author keyword | 2 | 26% | 2% | 5 |
| 3 | GHAEMSHAHR BRANCH | Address | 1 | 12% | 5% | 11 |
| 4 | AB INITIO VDW DF | Author keyword | 1 | 100% | 1% | 2 |
| 5 | SELF CONSISTENT CHARGE DENSITY FUNCTIONAL TIGHT BINDING METHOD | Author keyword | 1 | 100% | 1% | 2 |
| 6 | SI DOPED FULLERENES | Author keyword | 1 | 100% | 1% | 2 |
| 7 | SCC DFTB | Author keyword | 1 | 23% | 2% | 5 |
| 8 | BNNTS | Author keyword | 1 | 19% | 2% | 4 |
| 9 | ANTI MYCOBACTERIAL DRUGS | Author keyword | 1 | 50% | 0% | 1 |
| 10 | BN FULLERENES | Author keyword | 1 | 50% | 0% | 1 |
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 | DFTB | 3 | 26% | 5% | 11 | Search DFTB | Search DFTB |
| 2 | DENSITY FUNCTIONAL TIGHT BINDING | 2 | 26% | 2% | 5 | Search DENSITY+FUNCTIONAL+TIGHT+BINDING | Search DENSITY+FUNCTIONAL+TIGHT+BINDING |
| 3 | AB INITIO VDW DF | 1 | 100% | 1% | 2 | Search AB+INITIO+VDW+DF | Search AB+INITIO+VDW+DF |
| 4 | SELF CONSISTENT CHARGE DENSITY FUNCTIONAL TIGHT BINDING METHOD | 1 | 100% | 1% | 2 | Search SELF+CONSISTENT+CHARGE+DENSITY+FUNCTIONAL+TIGHT+BINDING+METHOD | Search SELF+CONSISTENT+CHARGE+DENSITY+FUNCTIONAL+TIGHT+BINDING+METHOD |
| 5 | SI DOPED FULLERENES | 1 | 100% | 1% | 2 | Search SI+DOPED+FULLERENES | Search SI+DOPED+FULLERENES |
| 6 | SCC DFTB | 1 | 23% | 2% | 5 | Search SCC+DFTB | Search SCC+DFTB |
| 7 | BNNTS | 1 | 19% | 2% | 4 | Search BNNTS | Search BNNTS |
| 8 | ANTI MYCOBACTERIAL DRUGS | 1 | 50% | 0% | 1 | Search ANTI+MYCOBACTERIAL+DRUGS | Search ANTI+MYCOBACTERIAL+DRUGS |
| 9 | BN FULLERENES | 1 | 50% | 0% | 1 | Search BN+FULLERENES | Search BN+FULLERENES |
| 10 | BN NANOCAGE | 1 | 50% | 0% | 1 | Search BN+NANOCAGE | Search BN+NANOCAGE |
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 | TIGHT BINDING METHOD | 10 | 18% | 23% | 50 |
| 2 | COMPLEX MATERIALS | 10 | 22% | 18% | 39 |
| 3 | SCC DFTB | 9 | 36% | 9% | 20 |
| 4 | SCC DFTB METHOD | 4 | 20% | 9% | 19 |
| 5 | FUNCTIONAL TIGHT BINDING | 3 | 28% | 5% | 10 |
| 6 | SCC DFTB METHODS | 1 | 50% | 1% | 2 |
| 7 | TRANSITION METAL THERMOCHEMISTRY | 1 | 40% | 1% | 2 |
| 8 | NANOCARBON SYSTEMS | 1 | 33% | 1% | 2 |
| 9 | B36N36 FULLERENE | 1 | 50% | 0% | 1 |
| 10 | DOCKING COMPLEXES | 1 | 50% | 0% | 1 |
Journals |
Reviews |
| Title | Publ. year | Cit. | Active references | % act. ref. to same field |
|---|---|---|---|---|
| Density functional tight binding: application to organic and biological molecules | 2014 | 12 | 80 | 44% |
| Density functional tight binding | 2014 | 5 | 45 | 53% |
| Adsorption of iodine on graphite in High Temperature Gas-Cooled Reactor systems: A review | 2014 | 1 | 1 | 100% |
| Density-Functional Based Tight-Binding: an Approximate DFT Method | 2009 | 39 | 40 | 23% |
| The SCC-DFTB method and its application to biological systems | 2006 | 148 | 106 | 18% |
| Approximate time-dependent density functional theory | 2009 | 20 | 91 | 15% |
| Atomistic simulations of complex materials: ground-state and excited-state properties | 2002 | 300 | 79 | 11% |
| Modeling zinc in biomolecules with the self consistent charge-density functional tight binding (SCC-DFTB) method: Applications to structural and energetic analysis | 2003 | 110 | 89 | 7% |
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 | GHAEMSHAHR BRANCH | 1 | 12% | 5.1% | 11 |
| 2 | BOROUJERED BRANCH | 1 | 50% | 0.5% | 1 |
| 3 | JAMES FRANCK COMPUTAT | 1 | 50% | 0.5% | 1 |
| 4 | ABT MOL BIOPHYS | 1 | 16% | 1.4% | 3 |
| 5 | CHEM BEREICH PHYS THEORET CHEM | 0 | 33% | 0.5% | 1 |
| 6 | NANOSCALE SIMULAT GRP | 0 | 25% | 0.5% | 1 |
| 7 | MOL MODELING CERMM | 0 | 13% | 0.9% | 2 |
| 8 | ZENT FESTKORPERPHYS WERKSTOFFOR | 0 | 17% | 0.5% | 1 |
| 9 | CHERRY EMERSON SCI COMPUTAT | 0 | 14% | 0.5% | 1 |
| 10 | OPTOELECT MEASUREMENT TECHN | 0 | 14% | 0.5% | 1 |
Related classes at same level (level 1) |
| Rank | Relatedness score | Related classes |
|---|---|---|
| 1 | 0.0000211334 | EXTREMELY LOCALIZED MOLECULAR ORBITALS//ASEP MD//LINK ATOM |
| 2 | 0.0000144377 | SELF CONSISTENT FIELD ITERATION//KOHN SHAM EQUATION//LINEAR SCALING |
| 3 | 0.0000134253 | COMPUTAT MOL SCI TECHNOL//BENZENE DIMER//MULLIKEN THEORET CHEM |
| 4 | 0.0000118545 | CATIVIC//PARAMETRIC QUANTUM METHOD//PARAMETRIC FUNCTIONAL |
| 5 | 0.0000099268 | DFT BLYP//SPONTANEOUS ENCAPSULATION//INVEST FIS DIFUS |
| 6 | 0.0000093519 | ATOMIC BEAM DEPOSITION//AB INITIO ENERGY CALCULATIONS//ZINC OXIDE CLUSTERS |
| 7 | 0.0000091637 | ACTEM//GRP ELE ON MICROSCOPY MAT SCI//STONE WALES DEFECT |
| 8 | 0.0000090488 | GRAPHYNE//GRAPHDIYNE//ALPHA GRAPHYNE |
| 9 | 0.0000088643 | LUMINY//LCSM UMR 7555//RARE GAS ATOMS |
| 10 | 0.0000086474 | QUANTUM CHEMICAL EVALUATION//SEMIEMPIRICAL MO THEORY//THEORY EXPERIMENT CORRELATION |