Analysis of bonding properties in molecular ground and excited states by a Cohen-type bond order.
- Published in:
- International Journal of Quantum Chemistry, 1983, v. 24, n. 6, p. 747, doi. 10.1002/qua.560240616
- By:
- Publication type:
- Article
Works matching IS 00207608 AND DT 1983 AND VI 24 AND IP 6
Results: 17
1
2
Ab initio calculation of the heptamer (NH.
- Published in:
- International Journal of Quantum Chemistry, 1983, v. 24, n. 6, p. 687, doi. 10.1002/qua.560240612
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- Publication type:
- Article
3
Ordering of Kekulé structures using nonadjacent numbers.
- Published in:
- International Journal of Quantum Chemistry, 1983, v. 24, n. 6, p. 571, doi. 10.1002/qua.560240605
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- Publication type:
- Article
4
A Hermitean reformulation of the Born-Oppenheimer nonadiabatic coupling terms for diatomic molecules.
- Published in:
- International Journal of Quantum Chemistry, 1983, v. 24, n. 6, p. 627, doi. 10.1002/qua.560240609
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- Publication type:
- Article
5
Shaping the density to fit one-electron properties: Constrained.
- Published in:
- International Journal of Quantum Chemistry, 1983, v. 24, n. 6, p. 651, doi. 10.1002/qua.560240611
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- Publication type:
- Article
6
On the concept of 'Partitions' in the perturbation theory of n-electron systems.
- Published in:
- International Journal of Quantum Chemistry, 1983, v. 24, n. 6, p. 551, doi. 10.1002/qua.560240604
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- Publication type:
- Article
7
On the Sanibel coefficients in the expansion of spin-projected slater determinants.
- Published in:
- International Journal of Quantum Chemistry, 1983, v. 24, n. 6, p. 729, doi. 10.1002/qua.560240615
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- Publication type:
- Article
8
Electron correlation effects on magnetic properties of BH.
- Published in:
- International Journal of Quantum Chemistry, 1983, v. 24, n. 6, p. 623, doi. 10.1002/qua.560240608
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- Publication type:
- Article
9
Calculation in k space of integrals arising in the theory of Van der Waals forces. II. Formulas for arbitrary atoms.
- Published in:
- International Journal of Quantum Chemistry, 1983, v. 24, n. 6, p. 633, doi. 10.1002/qua.560240610
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- Publication type:
- Article
10
Basis set quality. II. Information theoretic appraisal of various s- orbitals.
- Published in:
- International Journal of Quantum Chemistry, 1983, v. 24, n. 6, p. 527, doi. 10.1002/qua.560240603
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- Publication type:
- Article
11
Perturbation theory and electron correlation in extended systems: Cyclic polyene model.
- Published in:
- International Journal of Quantum Chemistry, 1983, v. 24, n. 6, p. 707, doi. 10.1002/qua.560240614
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- Publication type:
- Article
12
Projected BCS Tamm-Dancoff method for molecular electronic structures.
- Published in:
- International Journal of Quantum Chemistry, 1983, v. 24, n. 6, p. 603, doi. 10.1002/qua.560240607
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- Publication type:
- Article
13
A molecular geometry invariant property of energy level set boundaries in z space.
- Published in:
- International Journal of Quantum Chemistry, 1983, v. 24, n. 6, p. 523, doi. 10.1002/qua.560240602
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- Publication type:
- Article
14
SCF and CI Studies of Hund’s Rules for the Effects of Electronic Correlation and Delocalization. I.
- Published in:
- International Journal of Quantum Chemistry, 1983, v. 24, n. 6, p. 593, doi. 10.1002/qua.560240606
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- Publication type:
- Article
15
A possible interpretation of atomic valency as a spontaneously broken symmetry response.
- Published in:
- International Journal of Quantum Chemistry, 1983, v. 24, n. 6, p. 697, doi. 10.1002/qua.560240613
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- Publication type:
- Article
16
Ab initio molecular fragment calculations with pseudopotentials: Model peptide studies.
- Published in:
- International Journal of Quantum Chemistry, 1983, v. 24, n. 6, p. 767, doi. 10.1002/qua.560240617
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- Publication type:
- Article
17
Masthead.
- Published in:
- International Journal of Quantum Chemistry, 1983, v. 24, n. 6, p. fmi, doi. 10.1002/qua.560240601
- Publication type:
- Article