Study of the muffin-tin approximation in the multiple-scattering method.
- Published in:
- International Journal of Quantum Chemistry, 1979, v. 16, n. 5, p. 1021, doi. 10.1002/qua.560160508
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- Publication type:
- Article
Works matching IS 00207608 AND DT 1979 AND VI 16 AND IP 5
Results: 16
1
2
Electronic structure, spectra, and mechanism of photodimerization of pyrimidine bases.
- Published in:
- International Journal of Quantum Chemistry, 1979, v. 16, n. 5, p. 1051, doi. 10.1002/qua.560160510
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- Publication type:
- Article
3
Difficulties in the computation of physical observables due to a truncated CI.
- Published in:
- International Journal of Quantum Chemistry, 1979, v. 16, n. 5, p. 955, doi. 10.1002/qua.560160503
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- Publication type:
- Article
4
Improved minimization for the Hylleraas six-parameter wave function.
- Published in:
- International Journal of Quantum Chemistry, 1979, v. 16, n. 5, p. 1149, doi. 10.1002/qua.560160514
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- Publication type:
- Article
5
Dependence of approximate ab initio molecular loge sizes on the quality of basis functions.
- Published in:
- International Journal of Quantum Chemistry, 1979, v. 16, n. 5, p. 1009, doi. 10.1002/qua.560160507
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- Publication type:
- Article
6
Quadrupole moments, dipole quadrupole A and quadrupole C polarizabilities by means of perturbation theory.
- Published in:
- International Journal of Quantum Chemistry, 1979, v. 16, n. 5, p. 939, doi. 10.1002/qua.560160502
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- Publication type:
- Article
7
Tautomerism of oxopyridines and oxopyrimidines: Theoretical study with complete optimization of geometry.
- Published in:
- International Journal of Quantum Chemistry, 1979, v. 16, n. 5, p. 1141, doi. 10.1002/qua.560160513
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- Publication type:
- Article
8
Analytic perturbation theory and localization phenomena.
- Published in:
- International Journal of Quantum Chemistry, 1979, v. 16, n. 5, p. 993, doi. 10.1002/qua.560160506
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- Publication type:
- Article
9
Masthead.
- Published in:
- International Journal of Quantum Chemistry, 1979, v. 16, n. 5, p. fmi, doi. 10.1002/qua.560160501
- Publication type:
- Article
10
Electronic rearrangements during chemical reactions. II. Planar dissociation of ethylene.
- Published in:
- International Journal of Quantum Chemistry, 1979, v. 16, n. 5, p. 1103, doi. 10.1002/qua.560160512
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- Publication type:
- Article
11
Continuum contribution to polarizabilities and scaling.
- Published in:
- International Journal of Quantum Chemistry, 1979, v. 16, n. 5, p. 985, doi. 10.1002/qua.560160505
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- Publication type:
- Article
12
Crystals as giant molecules. Lecture notes in chemistry, no. 9. by A. Julg. Springer-Verlag, Berlin, 1978. 142 pp.
- Published in:
- International Journal of Quantum Chemistry, 1979, v. 16, n. 5, p. 1157, doi. 10.1002/qua.560160516
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- Publication type:
- Article
13
Valence-bond studies of four-electron three-center bonding units. II. FNO, HNO, LiNO, LiON, and HF<sub>2</sub><sup>−</sup>.
- Published in:
- International Journal of Quantum Chemistry, 1979, v. 16, n. 5, p. 1033, doi. 10.1002/qua.560160509
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- Publication type:
- Article
14
MCSCF optimization through combined use of natural orbitals and the brillouin-levy-berthier theorem.
- Published in:
- International Journal of Quantum Chemistry, 1979, v. 16, n. 5, p. 1069, doi. 10.1002/qua.560160511
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- Publication type:
- Article
15
Triplet instability in semiempirical RPA calculations of conjugated systems containing heteroatoms.
- Published in:
- International Journal of Quantum Chemistry, 1979, v. 16, n. 5, p. 1151, doi. 10.1002/qua.560160515
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- Publication type:
- Article
16
Thermodynamic functions for vibronic systems.
- Published in:
- International Journal of Quantum Chemistry, 1979, v. 16, n. 5, p. 973, doi. 10.1002/qua.560160504
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- Publication type:
- Article