Simple qualitative rules to study the surface electronic structure of some binary crystals.
- Published in:
- International Journal of Quantum Chemistry, 1987, v. 32, n. 4, p. 501, doi. 10.1002/qua.560320410
- By:
- Publication type:
- Article
Works matching IS 00207608 AND DT 1987 AND VI 32 AND IP 4
Results: 14
1
2
More on basis set quality tests.
- Published in:
- International Journal of Quantum Chemistry, 1987, v. 32, n. 4, p. 427, doi. 10.1002/qua.560320403
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- Publication type:
- Article
3
Handbook of gaussian basis sets: A compendium for ab-initio molecular orbital calculations. By Raymond Poirier, Roy Kari, and Imre Csizmadia. Elsevier science publishers B.V., Amsterdem, 1985.
- Published in:
- International Journal of Quantum Chemistry, 1987, v. 32, n. 4, p. 549, doi. 10.1002/qua.560320414
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- Publication type:
- Article
4
Method of local-scaling transformations and density functional theory in quantum chemistry. II. The procedure for reproducing a many-electron wave function from x-ray diffraction data on one-electron density.
- Published in:
- International Journal of Quantum Chemistry, 1987, v. 32, n. 4, p. 467, doi. 10.1002/qua.560320407
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- Publication type:
- Article
5
A model calculation on the transport of excitation energy in a molecular crystal.
- Published in:
- International Journal of Quantum Chemistry, 1987, v. 32, n. 4, p. 411, doi. 10.1002/qua.560320402
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- Publication type:
- Article
6
Geometrical derivatives of energy surfaces and molecular properties. Edited by Poul Jorgensen and Jack Simons, D. Reidel publishing company, Dordrecht, 1986.
- Published in:
- International Journal of Quantum Chemistry, 1987, v. 32, n. 4, p. 547, doi. 10.1002/qua.560320413
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- Publication type:
- Article
7
Some considerations on the sturmian approach to green's functions.
- Published in:
- International Journal of Quantum Chemistry, 1987, v. 32, n. 4, p. 457, doi. 10.1002/qua.560320406
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- Publication type:
- Article
8
Masthead.
- Published in:
- International Journal of Quantum Chemistry, 1987, v. 32, n. 4, p. fmi, doi. 10.1002/qua.560320401
- Publication type:
- Article
9
LCAO-MO Similarity Measures and Taxonomy*.
- Published in:
- International Journal of Quantum Chemistry, 1987, v. 32, n. 4, p. 517, doi. 10.1002/qua.560320412
- By:
- Publication type:
- Article
10
The functional derivatives of the Rayleigh's quotient-concept and applications.
- Published in:
- International Journal of Quantum Chemistry, 1987, v. 32, n. 4, p. 451, doi. 10.1002/qua.560320405
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- Publication type:
- Article
11
Structure and properties of nonclassical polymers. V. On a class of nonalternant polymers with localized nonbonding bands.
- Published in:
- International Journal of Quantum Chemistry, 1987, v. 32, n. 4, p. 491, doi. 10.1002/qua.560320409
- By:
- Publication type:
- Article
12
Hypervirial.
- Published in:
- International Journal of Quantum Chemistry, 1987, v. 32, n. 4, p. 511, doi. 10.1002/qua.560320411
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- Publication type:
- Article
13
Conformation dynamics of macromolecules.
- Published in:
- International Journal of Quantum Chemistry, 1987, v. 32, n. 4, p. 435, doi. 10.1002/qua.560320404
- By:
- Publication type:
- Article
14
Method of local-scaling transformations and density functional theory in quantum chemistry. III. The energy density functional: Spin-restricted approach.
- Published in:
- International Journal of Quantum Chemistry, 1987, v. 32, n. 4, p. 473, doi. 10.1002/qua.560320408
- By:
- Publication type:
- Article