Calculation of the density of states of tight-binding d band for simple cubic lattice.
- Published in:
- International Journal of Quantum Chemistry, 1981, v. 20, n. 3, p. 591, doi. 10.1002/qua.560200302
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- Publication type:
- Article
Works matching IS 00207608 AND DT 1981 AND VI 20 AND IP 3
Results: 19
1
2
Calculations concerning Kato's equations.
- Published in:
- International Journal of Quantum Chemistry, 1981, v. 20, n. 3, p. 717, doi. 10.1002/qua.560200313
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- Article
3
Molecular calculations with the nonempirical ab initio MODPOT, VRDDO, and MODPOT/VRDDO procedures. XII. Carcinogenic 3-methylcholanthrene and its metabolites using a MERGE technique.
- Published in:
- International Journal of Quantum Chemistry, 1981, v. 20, n. 3, p. 645, doi. 10.1002/qua.560200307
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- Publication type:
- Article
4
Ab initio valence bond calculations. XI. Pyridine: Ground and ionized states.
- Published in:
- International Journal of Quantum Chemistry, 1981, v. 20, n. 3, p. 705, doi. 10.1002/qua.560200312
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- Publication type:
- Article
5
Generalized Racah method for the evaluation of CFP for mixed electronic configurations.
- Published in:
- International Journal of Quantum Chemistry, 1981, v. 20, n. 3, p. 763, doi. 10.1002/qua.560200316
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- Publication type:
- Article
6
Explicit expression of the franck-condon factors in terms of the potentials of the two states.
- Published in:
- International Journal of Quantum Chemistry, 1981, v. 20, n. 3, p. 633, doi. 10.1002/qua.560200306
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- Publication type:
- Article
7
Masthead.
- Published in:
- International Journal of Quantum Chemistry, 1981, v. 20, n. 3, p. fmi, doi. 10.1002/qua.560200301
- Publication type:
- Article
8
Addendum to 'Quantum theory as a trace algebra'.
- Published in:
- International Journal of Quantum Chemistry, 1981, v. 20, n. 3, p. 775, doi. 10.1002/qua.560200317
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- Publication type:
- Article
9
Intermolecular interactions in porphin dimers: A quantum mechanical study.
- Published in:
- International Journal of Quantum Chemistry, 1981, v. 20, n. 3, p. 747, doi. 10.1002/qua.560200314
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- Publication type:
- Article
10
Hypervirial analysis of enclosed quantum mechanical systems. III. Unsymmetrical boundary conditions.
- Published in:
- International Journal of Quantum Chemistry, 1981, v. 20, n. 3, p. 623, doi. 10.1002/qua.560200305
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- Publication type:
- Article
11
Chemistry of excited states. XI. Interpretation of photoelectron spectra by final state single CI method within semiempirical formalisms.
- Published in:
- International Journal of Quantum Chemistry, 1981, v. 20, n. 3, p. 669, doi. 10.1002/qua.560200309
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- Publication type:
- Article
12
Relativistic theory of binding energies of heavy positive ions.
- Published in:
- International Journal of Quantum Chemistry, 1981, v. 20, n. 3, p. 693, doi. 10.1002/qua.560200311
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- Publication type:
- Article
13
Impact of lone pairs on the conformation and configuration statistics of poly(lactic acid) chains.
- Published in:
- International Journal of Quantum Chemistry, 1981, v. 20, n. 3, p. 613, doi. 10.1002/qua.560200304
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- Publication type:
- Article
14
Ab initio SCF study of guanidine and substituted guanidines.
- Published in:
- International Journal of Quantum Chemistry, 1981, v. 20, n. 3, p. 755, doi. 10.1002/qua.560200315
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- Publication type:
- Article
15
Treatment of excited states in the CASSCF method: Application to BO.
- Published in:
- International Journal of Quantum Chemistry, 1981, v. 20, n. 3, p. 655, doi. 10.1002/qua.560200308
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- Publication type:
- Article
16
The Siegert methods in resonance scattering: Relation to L<sup>2</sup> methods.
- Published in:
- International Journal of Quantum Chemistry, 1981, v. 20, n. 3, p. 779, doi. 10.1002/qua.560200319
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- Publication type:
- Article
17
Interaction between polymers: Dispersion energy of two infinite linear chains.
- Published in:
- International Journal of Quantum Chemistry, 1981, v. 20, n. 3, p. 683, doi. 10.1002/qua.560200310
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- Publication type:
- Article
18
Investigation of intermolecular interactions based on the atomic statistical model.
- Published in:
- International Journal of Quantum Chemistry, 1981, v. 20, n. 3, p. 601, doi. 10.1002/qua.560200303
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- Publication type:
- Article
19
Note on the Matsen and Pauncz proof of the S<sub>n</sub>-U(n) duality.
- Published in:
- International Journal of Quantum Chemistry, 1981, v. 20, n. 3, p. 777, doi. 10.1002/qua.560200318
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- Publication type:
- Article