Density functional study of O2 adsorption on (100) surface of γ‐uranium.
- Published in:
- International Journal of Quantum Chemistry, 2005, v. 102, n. 1, p. 98, doi. 10.1002/qua.20365
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- Article
Works matching IS 00207608 AND DT 2005 AND VI 102 AND IP 1
Results: 13
1
2
Density functional study of hydrogen‐bonded acetonitrile–water complex.
- Published in:
- International Journal of Quantum Chemistry, 2005, v. 102, n. 1, p. 106, doi. 10.1002/qua.20357
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- Article
3
Theoretical examination of substituent effects on the stabilization of a Sn—Y (Y = Sb and Bi) multiple bond.
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- International Journal of Quantum Chemistry, 2005, v. 102, n. 1, p. 72, doi. 10.1002/qua.20356
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- Article
4
Spin–orbit coupling of spin‐frustrated systems.
- Published in:
- International Journal of Quantum Chemistry, 2005, v. 102, n. 1, p. 80, doi. 10.1002/qua.20353
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- Article
5
Slater's nonlocal exchange potential and beyondThis manuscript was submitted for the 2003 Herbert Jones issue, but due to an error at the editor's office (not by the author), this manuscript is being published in this issue.This article is dedicated to the memory of Professor Herbert Jones.
- Published in:
- International Journal of Quantum Chemistry, 2005, v. 102, n. 1, p. 64, doi. 10.1002/qua.20352
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- Article
6
Convenient expression of the rate constant for nonadiabatic transition.
- Published in:
- International Journal of Quantum Chemistry, 2005, v. 102, n. 1, p. 8, doi. 10.1002/qua.20351
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- Article
7
Model of the physical properties of halides with complete graph‐based indices.
- Published in:
- International Journal of Quantum Chemistry, 2005, v. 102, n. 1, p. 38, doi. 10.1002/qua.20295
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- Article
8
Mechanism of asymmetric hydrogenation of enamides with [Rh(BisP*)]+ catalyst: Model DFT study.
- Published in:
- International Journal of Quantum Chemistry, 2005, v. 102, n. 1, p. 53, doi. 10.1002/qua.20294
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- Article
9
Antiferromagnetic phase of a 2‐D Wigner crystal.
- Published in:
- International Journal of Quantum Chemistry, 2005, v. 102, n. 1, p. 112, doi. 10.1002/qua.20292
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- Article
10
Natural orbital functional for correlation in polymers.
- Published in:
- International Journal of Quantum Chemistry, 2005, v. 102, n. 1, p. 90, doi. 10.1002/qua.20291
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- Article
11
The derivation of the characteristic function and the spectral density distribution of a Hamiltonian of N‐coupled morse oscillators: The large N‐limit.
- Published in:
- International Journal of Quantum Chemistry, 2005, v. 102, n. 1, p. 31, doi. 10.1002/qua.20283
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- Article
12
Cubature grids.
- Published in:
- International Journal of Quantum Chemistry, 2005, v. 102, n. 1, p. 19, doi. 10.1002/qua.20279
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- Article
13
Highly accurate relativistic universal Gaussian basis set for Dirac–Fock–Breit calculations.
- Published in:
- International Journal of Quantum Chemistry, 2005, v. 102, n. 1, p. 1, doi. 10.1002/qua.20260
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- Publication type:
- Article