CNDO/2 and MINDO/2 energy band structures of some homopolynucleotides.
- Published in:
- International Journal of Quantum Chemistry, 1973, v. 7, n. 3, p. 547, doi. 10.1002/qua.560070310
- By:
- Publication type:
- Article
Works matching IS 00207608 AND DT 1973 AND VI 7 AND IP 3
Results: 17
1
2
Some developments in the spin-extended Hartree-Fock method.
- Published in:
- International Journal of Quantum Chemistry, 1973, v. 7, n. 3, p. 425, doi. 10.1002/qua.560070303
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- Publication type:
- Article
3
Properties of pyridine and pyrazine from ab initio molecular orbital wave functions.
- Published in:
- International Journal of Quantum Chemistry, 1973, v. 7, n. 3, p. 609, doi. 10.1002/qua.560070314
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- Publication type:
- Article
4
A study of the AMO method as applied to the lithium metal. I. Review, results, and discussion.
- Published in:
- International Journal of Quantum Chemistry, 1973, v. 7, n. 3, p. 501, doi. 10.1002/qua.560070307
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- Publication type:
- Article
5
Convergence of the completely separated bipolar expansion of r.
- Published in:
- International Journal of Quantum Chemistry, 1973, v. 7, n. 3, p. 411, doi. 10.1002/qua.560070302
- By:
- Publication type:
- Article
6
Spin projected extended Hartree-Fock equations.
- Published in:
- International Journal of Quantum Chemistry, 1973, v. 7, n. 3, p. 583, doi. 10.1002/qua.560070313
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- Publication type:
- Article
7
Coupled Hartree-Fock calculation of the uniform field quadrupole polarizabilities and shielding factors of S-state ions.
- Published in:
- International Journal of Quantum Chemistry, 1973, v. 7, n. 3, p. 491, doi. 10.1002/qua.560070306
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- Publication type:
- Article
8
Announcements.
- Published in:
- International Journal of Quantum Chemistry, 1973, v. 7, n. 3, p. 637, doi. 10.1002/qua.560070317
- Publication type:
- Article
9
Masthead.
- Published in:
- International Journal of Quantum Chemistry, 1973, v. 7, n. 3, p. fmi, doi. 10.1002/qua.560070301
- Publication type:
- Article
10
Decoupled Hartree-Fock methods. II. Calculation of the potential curves of diatomic molecules.
- Published in:
- International Journal of Quantum Chemistry, 1973, v. 7, n. 3, p. 569, doi. 10.1002/qua.560070312
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- Publication type:
- Article
11
A comparative quantum chemical study of ethylcarbonium ion and hydroxymethylcarbonium ion.
- Published in:
- International Journal of Quantum Chemistry, 1973, v. 7, n. 3, p. 475, doi. 10.1002/qua.560070305
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- Publication type:
- Article
12
Errata.
- Published in:
- International Journal of Quantum Chemistry, 1973, v. 7, n. 3, p. 635, doi. 10.1002/qua.560070316
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- Publication type:
- Article
13
A study of the AMO method as applied to the lithium metal. III. A method for calculating the total electronic energy of crystals in the LCAO approximation.
- Published in:
- International Journal of Quantum Chemistry, 1973, v. 7, n. 3, p. 537, doi. 10.1002/qua.560070309
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- Publication type:
- Article
14
A note on Löwdin orthogonalization and the square root of a positive self-adjoint matrix.
- Published in:
- International Journal of Quantum Chemistry, 1973, v. 7, n. 3, p. 561, doi. 10.1002/qua.560070311
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- Publication type:
- Article
15
Direct minimization of the energy functional in LCAO- MO calculations.
- Published in:
- International Journal of Quantum Chemistry, 1973, v. 7, n. 3, p. 459, doi. 10.1002/qua.560070304
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- Publication type:
- Article
16
Modified Gaussian functions and their use in quantum chemistry. I. Integrals.
- Published in:
- International Journal of Quantum Chemistry, 1973, v. 7, n. 3, p. 623, doi. 10.1002/qua.560070315
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- Publication type:
- Article
17
A study of the AMO method as applied to the lithium metal. II. The first-order density matrix and the shape of the fermi surface.
- Published in:
- International Journal of Quantum Chemistry, 1973, v. 7, n. 3, p. 521, doi. 10.1002/qua.560070308
- By:
- Publication type:
- Article