Box orbitals for extended systems.
- Published in:
- International Journal of Quantum Chemistry, 1997, v. 64, n. 4, p. 411, doi. 10.1002/(SICI)1097-461X(1997)64:4<411::AID-QUA3>3.0.CO;2-Z
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- Article
Works matching IS 00207608 AND DT 1997 AND VI 64 AND IP 4
Results: 10
1
2
On the electronic structure of Cu(H<sub>2</sub>O)<sub>6</sub><sup>2+</sup>.
- Published in:
- International Journal of Quantum Chemistry, 1997, v. 64, n. 4, p. 453, doi. 10.1002/(SICI)1097-461X(1997)64:4<453::AID-QUA7>3.0.CO;2-V
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- Article
3
Interpretation of energy bands of polyethylene in terms of effective interactions between first- and second-neighboring CH<sub>2</sub> groups.
- Published in:
- International Journal of Quantum Chemistry, 1997, v. 64, n. 4, p. 481, doi. 10.1002/(SICI)1097-461X(1997)64:4<481::AID-QUA10>3.0.CO;2-8
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- Article
4
Tunneling dynamics of one- and two-dimensional cubic oscillators with randomly fluctuating harmonic force constants: A numerical experiment.
- Published in:
- International Journal of Quantum Chemistry, 1997, v. 64, n. 4, p. 403, doi. 10.1002/(SICI)1097-461X(1997)64:4<403::AID-QUA2>3.0.CO;2-#
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- Article
5
HNNH<sub>3</sub>, a new possible isomer of N<sub>2</sub>H<sub>4</sub>: An ab initio study.
- Published in:
- International Journal of Quantum Chemistry, 1997, v. 64, n. 4, p. 447, doi. 10.1002/(SICI)1097-461X(1997)64:4<447::AID-QUA6>3.0.CO;2-W
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- Article
6
Two approaches to stochastic rate theory.
- Published in:
- International Journal of Quantum Chemistry, 1997, v. 64, n. 4, p. 393, doi. 10.1002/(SICI)1097-461X(1997)64:4<393::AID-QUA1>3.0.CO;2-R
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7
Extension of the LAP functional to include parallel spin correlation.
- Published in:
- International Journal of Quantum Chemistry, 1997, v. 64, n. 4, p. 427, doi. 10.1002/(SICI)1097-461X(1997)64:4<427::AID-QUA5>3.0.CO;2-Y
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- Article
8
Polyiodide chains in crystalline organic iodides: Ab initio Hartree-Fock crystal orbital study.
- Published in:
- International Journal of Quantum Chemistry, 1997, v. 64, n. 4, p. 473, doi. 10.1002/(SICI)1097-461X(1997)64:4<473::AID-QUA9>3.0.CO;2-T
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9
Indexing scheme for classes of 𝒮<sub> N</sub>; partitions of N.
- Published in:
- International Journal of Quantum Chemistry, 1997, v. 64, n. 4, p. 421, doi. 10.1002/(SICI)1097-461X(1997)64:4<421::AID-QUA4>3.0.CO;2-Y
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- Article
10
Studies on the band structures of some low-temperature superconductors.
- Published in:
- International Journal of Quantum Chemistry, 1997, v. 64, n. 4, p. 459, doi. 10.1002/(SICI)1097-461X(1997)64:4<459::AID-QUA8>3.0.CO;2-V
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- Publication type:
- Article