Nonlinear coupling model for reactions in dense media.
- Published in:
- International Journal of Quantum Chemistry, 2001, v. 81, n. 1, p. 1, doi. 10.1002/1097-461X(2001)81:1<1::AID-QUA2>3.0.CO;2-6
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- Article
Works matching IS 00207608 AND DT 2001 AND VI 81 AND IP 1
Results: 12
1
2
Resistance distance in graphs and random walks.
- Published in:
- International Journal of Quantum Chemistry, 2001, v. 81, n. 1, p. 29, doi. 10.1002/1097-461X(2001)81:1<29::AID-QUA6>3.0.CO;2-Y
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- Article
3
Per-Olov Löwdin 1916-2000.
- Published in:
- International Journal of Quantum Chemistry, 2001, v. 81, n. 1, p. i, doi. 10.1002/1097-461X(2001)81:1<1::AID-QUA1>3.0.CO;2-9
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- Article
4
Four-center integrals for Gaussian and exponential functions.
- Published in:
- International Journal of Quantum Chemistry, 2001, v. 81, n. 1, p. 16, doi. 10.1002/1097-461X(2001)81:1<16::AID-QUA5>3.0.CO;2-A
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- Article
5
Elementary addition-substitution reactions. Hückel approach for the description of aromatic and antiaromatic arylmethyl cations.
- Published in:
- International Journal of Quantum Chemistry, 2001, v. 81, n. 1, p. 66, doi. 10.1002/1097-461X(2001)81:1<66::AID-QUA9>3.0.CO;2-U
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- Article
6
Local and nonlocal density functional calculations of the molecular structure of isomeric thiadiazole monoxides.
- Published in:
- International Journal of Quantum Chemistry, 2001, v. 81, n. 1, p. 105, doi. 10.1002/1097-461X(2001)81:1<105::AID-QUA12>3.0.CO;2-7
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- Article
7
Analytical formulas for the magnetic field produced by a spin or a paramagnetic current density in the case of Gaussian basis functions.
- Published in:
- International Journal of Quantum Chemistry, 2001, v. 81, n. 1, p. 11, doi. 10.1002/1097-461X(2001)81:1<11::AID-QUA4>3.0.CO;2-S
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- Article
8
Bond types of molecular orbitals and the photoelectron spectrum.
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- International Journal of Quantum Chemistry, 2001, v. 81, n. 1, p. 53, doi. 10.1002/1097-461X(2001)81:1<53::AID-QUA8>3.0.CO;2-6
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- Article
9
An ab initio study of water clusters in gas phase and bulk aqueous media: (H<sub>2</sub>O)<sub> n</sub>, n=1-12.
- Published in:
- International Journal of Quantum Chemistry, 2001, v. 81, n. 1, p. 90, doi. 10.1002/1097-461X(2001)81:1<90::AID-QUA11>3.0.CO;2-Y
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- Article
10
Studies of chemical hardness and Fukui function using the exact solution of the density functional theory.
- Published in:
- International Journal of Quantum Chemistry, 2001, v. 81, n. 1, p. 4, doi. 10.1002/1097-461X(2001)81:1<4::AID-QUA3>3.0.CO;2-V
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- Article
11
PW86-PW91 density functional calculation of vertical ionization potentials: Some implications for present-day functionals.
- Published in:
- International Journal of Quantum Chemistry, 2001, v. 81, n. 1, p. 34, doi. 10.1002/1097-461X(2001)81:1<34::AID-QUA7>3.0.CO;2-8
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- Article
12
Valence bond study of the fragmentation of C<sub>2 v</sub> Li<sub>4</sub><sup>−</sup> cluster.
- Published in:
- International Journal of Quantum Chemistry, 2001, v. 81, n. 1, p. 76, doi. 10.1002/1097-461X(2001)81:1<76::AID-QUA10>3.0.CO;2-0
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- Publication type:
- Article