A density matrix variational calculation for atomic Be.
- Published in:
- International Journal of Quantum Chemistry, 1976, v. 10, n. 3, p. 495, doi. 10.1002/qua.560100311
- By:
- Publication type:
- Article
Works matching IS 00207608 AND DT 1976 AND VI 10 AND IP 3
Results: 19
1
2
A new approach to canonical orthonormalisation.
- Published in:
- International Journal of Quantum Chemistry, 1976, v. 10, n. 3, p. 413, doi. 10.1002/qua.560100304
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- Publication type:
- Article
3
Gaussian-type bases for the calculation of the interaction energy between neon atoms.
- Published in:
- International Journal of Quantum Chemistry, 1976, v. 10, n. 3, p. 545, doi. 10.1002/qua.560100315
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- Publication type:
- Article
4
The use of single exponential orbitals in one-center molecular orbital calculations.
- Published in:
- International Journal of Quantum Chemistry, 1976, v. 10, n. 3, p. 455, doi. 10.1002/qua.560100308
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- Publication type:
- Article
5
Drug-Receptor and Drug-Enzyme Interactions: A Basic Approach.
- Published in:
- International Journal of Quantum Chemistry, 1976, v. 10, n. 3, p. 555, doi. 10.1002/qua.560100319
- Publication type:
- Article
6
Matrix elements for an approximate ab initio π-electron theory.
- Published in:
- International Journal of Quantum Chemistry, 1976, v. 10, n. 3, p. 473, doi. 10.1002/qua.560100310
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- Publication type:
- Article
7
Relativistic molecular spinors by generalized multiple scattering theory.
- Published in:
- International Journal of Quantum Chemistry, 1976, v. 10, n. 3, p. 393, doi. 10.1002/qua.560100303
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- Publication type:
- Article
8
Similarity in the pattern per atom-pair in benzene of contributions to total energy or total overlap populations.
- Published in:
- International Journal of Quantum Chemistry, 1976, v. 10, n. 3, p. 543, doi. 10.1002/qua.560100314
- By:
- Publication type:
- Article
9
Comparative study of unconventional 1 s basis functions for the <sup>1</sup>Σ.
- Published in:
- International Journal of Quantum Chemistry, 1976, v. 10, n. 3, p. 439, doi. 10.1002/qua.560100307
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- Publication type:
- Article
10
Quantum theory of the chemical bond. Author: H. F. Hameka. Published by: Hafner Press, New York and London, 1975.
- Published in:
- International Journal of Quantum Chemistry, 1976, v. 10, n. 3, p. 553, doi. 10.1002/qua.560100318
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- Publication type:
- Article
11
Iterative introduction of integral approximations with error bounds in SCF calculations.
- Published in:
- International Journal of Quantum Chemistry, 1976, v. 10, n. 3, p. 383, doi. 10.1002/qua.560100302
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- Publication type:
- Article
12
From theoretical physics to biology. Proceedings of the Third International Conference 'From Theoretical Physics to Biology', Versailles, June 1971. Edited by: M. Marois, Paris. Published by: S. Karger AG, Basel, 1973. Price: $43.00.
- Published in:
- International Journal of Quantum Chemistry, 1976, v. 10, n. 3, p. 551, doi. 10.1002/qua.560100316
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- Publication type:
- Article
13
Spin-Free quantum chemistry. XVIII. The unitary group formulation of the many-electron problem.
- Published in:
- International Journal of Quantum Chemistry, 1976, v. 10, n. 3, p. 525, doi. 10.1002/qua.560100313
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- Publication type:
- Article
14
Methods in molecular orbital theory. Author: Almon G. Turner. Published by: Prentice-Hall, Englewood Cliffs, New Jersey, 1974. Price: £ 9.45. No. of pages: xiii + 225.
- Published in:
- International Journal of Quantum Chemistry, 1976, v. 10, n. 3, p. 552, doi. 10.1002/qua.560100317
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- Publication type:
- Article
15
Masthead.
- Published in:
- International Journal of Quantum Chemistry, 1976, v. 10, n. 3, p. fmi, doi. 10.1002/qua.560100301
- Publication type:
- Article
16
Spin-free quantum chemistry. XVII. The Hückel-Hubbard theory and the Woodward-Hoffmann rules.
- Published in:
- International Journal of Quantum Chemistry, 1976, v. 10, n. 3, p. 511, doi. 10.1002/qua.560100312
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- Publication type:
- Article
17
Perturbation theory with an approximate perturbation: The effect of charge overlap on interatomic interactions.
- Published in:
- International Journal of Quantum Chemistry, 1976, v. 10, n. 3, p. 419, doi. 10.1002/qua.560100305
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- Publication type:
- Article
18
Singlet and triplet excited state electric dipole polarizabilities of conjugated hydrocarbons.
- Published in:
- International Journal of Quantum Chemistry, 1976, v. 10, n. 3, p. 429, doi. 10.1002/qua.560100306
- By:
- Publication type:
- Article
19
Analysis of the half-projected Hartree-Fock function: Density matrix, natural orbitals, and configuration interaction equivalence.
- Published in:
- International Journal of Quantum Chemistry, 1976, v. 10, n. 3, p. 461, doi. 10.1002/qua.560100309
- By:
- Publication type:
- Article