Geometrical energy derivative evaluation with.
- Published in:
- International Journal of Quantum Chemistry, 1987, v. 31, n. 1, p. 33, doi. 10.1002/qua.560310105
- By:
- Publication type:
- Article
Works matching IS 00207608 AND DT 1987 AND VI 31 AND IP 1
Results: 18
1
2
Masthead.
- Published in:
- International Journal of Quantum Chemistry, 1987, v. 31, n. 1, p. fmi, doi. 10.1002/qua.560310101
- Publication type:
- Article
3
Excitation energies, oscillator strengths, and frequency dependent polarizabilities of Be: Comparison of.
- Published in:
- International Journal of Quantum Chemistry, 1987, v. 31, n. 1, p. 99, doi. 10.1002/qua.560310112
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- Publication type:
- Article
4
Some recent experiments on inelastic electron-molecule collisions at low energies.
- Published in:
- International Journal of Quantum Chemistry, 1987, v. 31, n. 1, p. 161, doi. 10.1002/qua.560310116
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- Publication type:
- Article
5
Symmetry effects in the electronic spectrum of ammonia at low temperature.
- Published in:
- International Journal of Quantum Chemistry, 1987, v. 31, n. 1, p. 73, doi. 10.1002/qua.560310109
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- Publication type:
- Article
6
On the quenching of Li(.
- Published in:
- International Journal of Quantum Chemistry, 1987, v. 31, n. 1, p. 91, doi. 10.1002/qua.560310111
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- Publication type:
- Article
7
Reaction rates for O + HD → OH + D and O + HD → OD + H.
- Published in:
- International Journal of Quantum Chemistry, 1987, v. 31, n. 1, p. 17, doi. 10.1002/qua.560310104
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- Publication type:
- Article
8
Crossed-Molecular beam studies of the state-to-state reaction dynamics of charge transfer at low and intermediate energy.
- Published in:
- International Journal of Quantum Chemistry, 1987, v. 31, n. 1, p. 133, doi. 10.1002/qua.560310115
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- Publication type:
- Article
9
Reactive scattering in hyperspherical coordinates.
- Published in:
- International Journal of Quantum Chemistry, 1987, v. 31, n. 1, p. 65, doi. 10.1002/qua.560310108
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- Publication type:
- Article
10
Correlation balance in basis sets for electronic structure calculations.
- Published in:
- International Journal of Quantum Chemistry, 1987, v. 31, n. 1, p. 81, doi. 10.1002/qua.560310110
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- Publication type:
- Article
11
Discrete spatial symmetries in energy derivatives.
- Published in:
- International Journal of Quantum Chemistry, 1987, v. 31, n. 1, p. 3, doi. 10.1002/qua.560310103
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- Publication type:
- Article
12
Rotational decoupling of vibrational modes due to rotational excitation: Application to a model of the HDO stretching motions.
- Published in:
- International Journal of Quantum Chemistry, 1987, v. 31, n. 1, p. 119, doi. 10.1002/qua.560310114
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- Publication type:
- Article
13
The formation of highly excited H.
- Published in:
- International Journal of Quantum Chemistry, 1987, v. 31, n. 1, p. 57, doi. 10.1002/qua.560310107
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- Publication type:
- Article
14
Symposium note: More new desirable computational strategies for ab initio calculations on large molecules, clusters, solids, and crystals.
- Published in:
- International Journal of Quantum Chemistry, 1987, v. 31, n. 1, p. 179, doi. 10.1002/qua.560310118
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- Publication type:
- Article
15
Introduction.
- Published in:
- International Journal of Quantum Chemistry, 1987, v. 31, n. 1, p. 1, doi. 10.1002/qua.560310102
- Publication type:
- Article
16
Free energy and dispersion forces via response functions.
- Published in:
- International Journal of Quantum Chemistry, 1987, v. 31, n. 1, p. 113, doi. 10.1002/qua.560310113
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- Publication type:
- Article
17
Analysis of the IGLO bond contributions to the.
- Published in:
- International Journal of Quantum Chemistry, 1987, v. 31, n. 1, p. 45, doi. 10.1002/qua.560310106
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- Publication type:
- Article
18
MBPT and coupled cluster calculation on the neon atom with numerical orbitals.
- Published in:
- International Journal of Quantum Chemistry, 1987, v. 31, n. 1, p. 173, doi. 10.1002/qua.560310117
- By:
- Publication type:
- Article