Feenberg scaling and higher-order invariants in Rayleigh-Schrödinger perturbation theory.
- Published in:
- International Journal of Quantum Chemistry, 1982, v. 21, n. 5, p. 857, doi. 10.1002/qua.560210511
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- Publication type:
- Article
Works matching IS 00207608 AND DT 1982 AND VI 21 AND IP 5
Results: 22
1
2
Announcements.
- Published in:
- International Journal of Quantum Chemistry, 1982, v. 21, n. 5, p. 943, doi. 10.1002/qua.560210522
- Publication type:
- Article
3
Critical examination of approximate LCAO MO methods. I. Reasons for the failure of the CNDO and INDO methods in theoretical conformational analysis of conjugated compounds.
- Published in:
- International Journal of Quantum Chemistry, 1982, v. 21, n. 5, p. 833, doi. 10.1002/qua.560210508
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- Publication type:
- Article
4
Novel graph-theoretical approach to estimating the relative importance of individual Kekulé valence structures. III. Nonalternate and nonbenzenoid hydrocarbons.
- Published in:
- International Journal of Quantum Chemistry, 1982, v. 21, n. 5, p. 793, doi. 10.1002/qua.560210504
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- Publication type:
- Article
5
Theory of the electron distribution in compressed atoms at high temperatures.
- Published in:
- International Journal of Quantum Chemistry, 1982, v. 21, n. 5, p. 899, doi. 10.1002/qua.560210515
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- Publication type:
- Article
6
Comment on hypervirial relations for bounded systems.
- Published in:
- International Journal of Quantum Chemistry, 1982, v. 21, n. 5, p. 937, doi. 10.1002/qua.560210519
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- Publication type:
- Article
7
Semiempirical molecular orbital calculations on octahedral aquo complexes of transition metal ions: σ-donor ability of water.
- Published in:
- International Journal of Quantum Chemistry, 1982, v. 21, n. 5, p. 851, doi. 10.1002/qua.560210510
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- Publication type:
- Article
8
Understanding physical chemistry. By Arthur W. Adamson, Benjamin/Cummings, 1980. Price: $9.95.
- Published in:
- International Journal of Quantum Chemistry, 1982, v. 21, n. 5, p. 941, doi. 10.1002/qua.560210521
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- Publication type:
- Article
9
Novel graph-theoretical approach to estimating the relative importance of individual Kekulé valence structures. II. Benzenoid systems having four to seven fused benzene rings: 'Pseudodegenerate' states.
- Published in:
- International Journal of Quantum Chemistry, 1982, v. 21, n. 5, p. 779, doi. 10.1002/qua.560210503
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- Publication type:
- Article
10
Reduced local energy as a criterion for the accuracy of approximate Hartree-Fock wave functions. Application to H<sub>2</sub>O and CH<sub>4</sub>.
- Published in:
- International Journal of Quantum Chemistry, 1982, v. 21, n. 5, p. 885, doi. 10.1002/qua.560210514
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- Publication type:
- Article
11
Diagram approach to group algebraic methods.
- Published in:
- International Journal of Quantum Chemistry, 1982, v. 21, n. 5, p. 823, doi. 10.1002/qua.560210507
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- Publication type:
- Article
12
Virial fragments and the Hohenberg-Kohn functional.
- Published in:
- International Journal of Quantum Chemistry, 1982, v. 21, n. 5, p. 927, doi. 10.1002/qua.560210518
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- Publication type:
- Article
13
Simple derivation of the potential energy gradient for an arbitrary electronic wave function.
- Published in:
- International Journal of Quantum Chemistry, 1982, v. 21, n. 5, p. 939, doi. 10.1002/qua.560210520
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- Publication type:
- Article
14
Hypervirial analysis of enclosed quantum mechanical systems. IV. Further comments.
- Published in:
- International Journal of Quantum Chemistry, 1982, v. 21, n. 5, p. 875, doi. 10.1002/qua.560210513
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- Publication type:
- Article
15
Novel graph-theoretical approach to estimating the relative importance of individual Kekulé valence structures. I. Simple catacondensed systems.
- Published in:
- International Journal of Quantum Chemistry, 1982, v. 21, n. 5, p. 771, doi. 10.1002/qua.560210502
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- Publication type:
- Article
16
CNDO/2 calculations of relaxation and reconstruction of diamond and silicon [111] surfaces.
- Published in:
- International Journal of Quantum Chemistry, 1982, v. 21, n. 5, p. 813, doi. 10.1002/qua.560210506
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- Publication type:
- Article
17
Masthead.
- Published in:
- International Journal of Quantum Chemistry, 1982, v. 21, n. 5, p. fmi, doi. 10.1002/qua.560210501
- Publication type:
- Article
18
Cluster CPA calculations for infinite and half-infinite chains and applications to coupled polymer chains.
- Published in:
- International Journal of Quantum Chemistry, 1982, v. 21, n. 5, p. 917, doi. 10.1002/qua.560210517
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- Publication type:
- Article
19
Charge and spin correlation structures of conjugated π systems: Analysis of full CI wave functions of the PPP hamiltonian.
- Published in:
- International Journal of Quantum Chemistry, 1982, v. 21, n. 5, p. 861, doi. 10.1002/qua.560210512
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- Publication type:
- Article
20
Ab initio calculations on sulfur-containing compounds. I. Uniform quality basis sets for sulfur: Total energies and geometries of H<sub>2</sub>S.
- Published in:
- International Journal of Quantum Chemistry, 1982, v. 21, n. 5, p. 799, doi. 10.1002/qua.560210505
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- Publication type:
- Article
21
Scaled one-electron hamiltonian model for open-shell LCAO- MO- SCF calculations: Comparison with the restricted open-shell method of roothaan.
- Published in:
- International Journal of Quantum Chemistry, 1982, v. 21, n. 5, p. 905, doi. 10.1002/qua.560210516
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- Publication type:
- Article
22
Calculation of relaxed orbital binding energies in atoms: Zinc and cadmium.
- Published in:
- International Journal of Quantum Chemistry, 1982, v. 21, n. 5, p. 845, doi. 10.1002/qua.560210509
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- Publication type:
- Article