Found: 6
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Calculation of energies of excited states using MNDO.
- Published in:
- Journal of Computational Chemistry, 1984, v. 5, n. 5, p. 480, doi. 10.1002/jcc.540050509
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- Publication type:
- Article
Fast and accurate procedure to perform SCF or DFT calculation for large molecules.
- Published in:
- Journal of Molecular Modeling, 2021, v. 27, n. 4, p. 1, doi. 10.1007/s00894-021-04723-2
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- Publication type:
- Article
Deformation density and energy decomposition to describe interactions between (η-CH)M and highly reactive molecules CH and (CH).
- Published in:
- Journal of Molecular Modeling, 2014, v. 20, n. 8, p. 1, doi. 10.1007/s00894-014-2418-y
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- Article
The Electronic Structures of Small Ni<sub> n</sub> ( n=2-4) Clusters and Their Interactions with Ethylene and Triplet Oxygen: A Theoretical Study.
- Published in:
- ChemPhysChem, 2014, v. 15, n. 18, p. 4055, doi. 10.1002/cphc.201402467
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- Article
Floating spherical gaussian orbital open-shell calculations on the four-electron H<sub>4</sub> system.
- Published in:
- International Journal of Quantum Chemistry, 1977, v. 12, n. 4, p. 593, doi. 10.1002/qua.560120402
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- Publication type:
- Article
A new approach for aromaticity criterion based on electrostatic field gradient.
- Published in:
- Journal of Molecular Modeling, 2011, v. 17, n. 8, p. 2017, doi. 10.1007/s00894-010-0902-6
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- Publication type:
- Article