Integral-geometrical consideration of density matrices.
- Published in:
- International Journal of Quantum Chemistry, 1995, v. 56, n. 5, p. 535, doi. 10.1002/qua.560560511
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- Publication type:
- Article
Works matching IS 00207608 AND DT 1995 AND VI 56 AND IP 5
Results: 21
1
2
Electron correlation: Keeping close to an orbital description.
- Published in:
- International Journal of Quantum Chemistry, 1995, v. 56, n. 5, p. 445, doi. 10.1002/qua.560560504
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- Publication type:
- Article
3
Vibrational frequencies of sodium clusters.
- Published in:
- International Journal of Quantum Chemistry, 1995, v. 56, n. 5, p. 589, doi. 10.1002/qua.560560515
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- Publication type:
- Article
4
Nonlocal functionals for exchange and correlation in density functional theory: Application to atoms and to small atomic clusters.
- Published in:
- International Journal of Quantum Chemistry, 1995, v. 56, n. 5, p. 499, doi. 10.1002/qua.560560508
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- Publication type:
- Article
5
Chemical reactivity trends of ergotamine and butenolide from electrostatic potentials and charge sensitivities.
- Published in:
- International Journal of Quantum Chemistry, 1995, v. 56, n. 5, p. 633, doi. 10.1002/qua.560560519
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- Publication type:
- Article
6
Frequency-dependent linear response of superconducting systems.
- Published in:
- International Journal of Quantum Chemistry, 1995, v. 56, n. 5, p. 521, doi. 10.1002/qua.560560510
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- Publication type:
- Article
7
Announcement.
- Published in:
- International Journal of Quantum Chemistry, 1995, v. 56, n. 5, p. I, doi. 10.1002/qua.560560521
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- Publication type:
- Article
8
A density functional theory formulation of the reaction field model of solvent effects.
- Published in:
- International Journal of Quantum Chemistry, 1995, v. 56, n. 5, p. 433, doi. 10.1002/qua.560560503
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- Publication type:
- Article
9
Theoretical studies of organonickel compounds. I. A density functional and ab initio HF study.
- Published in:
- International Journal of Quantum Chemistry, 1995, v. 56, n. 5, p. 575, doi. 10.1002/qua.560560514
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- Publication type:
- Article
10
Information entropies of many-electron systems.
- Published in:
- International Journal of Quantum Chemistry, 1995, v. 56, n. 5, p. 489, doi. 10.1002/qua.560560507
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- Publication type:
- Article
11
The Weizsäcker functional: Some rigorous results.
- Published in:
- International Journal of Quantum Chemistry, 1995, v. 56, n. 5, p. 627, doi. 10.1002/qua.560560518
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- Publication type:
- Article
12
Stationary point structure and energetics: Density functional study including solvent effects on the tautomerization of formamide and 2-pyridone.
- Published in:
- International Journal of Quantum Chemistry, 1995, v. 56, n. 5, p. 645, doi. 10.1002/qua.560560520
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- Publication type:
- Article
13
Density functional theory of born couplings: Consequences for electron flow in Jahn-Teller molecules and superconductors.
- Published in:
- International Journal of Quantum Chemistry, 1995, v. 56, n. 5, p. 423, doi. 10.1002/qua.560560502
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- Publication type:
- Article
14
Modeling of the mutual molecular polarization with an electronegativity equalization approach.
- Published in:
- International Journal of Quantum Chemistry, 1995, v. 56, n. 5, p. 563, doi. 10.1002/qua.560560513
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- Publication type:
- Article
15
The implementation of analytical energy gradients based on a quasi-relativistic density functional method: The application to metal carbonyls.
- Published in:
- International Journal of Quantum Chemistry, 1995, v. 56, n. 5, p. 477, doi. 10.1002/qua.560560506
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- Publication type:
- Article
16
Solvent effects in density functional calculations of uracil and cytosine tautomerism.
- Published in:
- International Journal of Quantum Chemistry, 1995, v. 56, n. 5, p. 615, doi. 10.1002/qua.560560517
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- Publication type:
- Article
17
Masthead.
- Published in:
- International Journal of Quantum Chemistry, 1995, v. 56, n. 5, p. fmi, doi. 10.1002/qua.560560501
- Publication type:
- Article
18
A local one-electron operator for the generalized-overlap amplitudes.
- Published in:
- International Journal of Quantum Chemistry, 1995, v. 56, n. 5, p. 547, doi. 10.1002/qua.560560512
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- Publication type:
- Article
19
Chemical reactivity concepts in charge sensitivity analysis.
- Published in:
- International Journal of Quantum Chemistry, 1995, v. 56, n. 5, p. 453, doi. 10.1002/qua.560560505
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- Publication type:
- Article
20
Use of charge sensitivity analysis in diagnosing chemisorption clusters: Minimum-energy coordinate and Fukui function study of model toluene-[V<sub>2</sub>O<sub>5</sub>] systems.
- Published in:
- International Journal of Quantum Chemistry, 1995, v. 56, n. 5, p. 603, doi. 10.1002/qua.560560516
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- Publication type:
- Article
21
Fermi and Coulomb holes of molecules in excited states.
- Published in:
- International Journal of Quantum Chemistry, 1995, v. 56, n. 5, p. 509, doi. 10.1002/qua.560560509
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- Publication type:
- Article