Solution of a correlation function's defining integral equation for complex domains.
- Published in:
- International Journal of Quantum Chemistry, 1984, v. 26, n. 6, p. 987, doi. 10.1002/qua.560260604
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- Publication type:
- Article
Works matching IS 00207608 AND DT 1984 AND VI 26
Results: 188
1
2
Convergence properties of Hartree-Fock SCF molecular calculations.
- Published in:
- International Journal of Quantum Chemistry, 1984, v. 26, n. 6, p. 1039, doi. 10.1002/qua.560260608
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- Article
3
The metric properties of the reduced nuclear configuration space.
- Published in:
- International Journal of Quantum Chemistry, 1984, v. 26, n. 6, p. 983, doi. 10.1002/qua.560260603
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- Article
4
Statistical computer-aided calculation of molecular integrals.
- Published in:
- International Journal of Quantum Chemistry, 1984, v. 26, n. 6, p. 1029, doi. 10.1002/qua.560260607
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- Publication type:
- Article
5
Effective basis sets for calculations of exchange-repulsion energy.
- Published in:
- International Journal of Quantum Chemistry, 1984, v. 26, n. 6, p. 971, doi. 10.1002/qua.560260602
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- Publication type:
- Article
6
Many-electron theory of autoionizing states using complex coordinates: The position and the partial and total widths of the Ne<sup>+</sup> 1 s hole state.
- Published in:
- International Journal of Quantum Chemistry, 1984, v. 26, n. 6, p. 1017, doi. 10.1002/qua.560260606
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- Article
7
Masthead.
- Published in:
- International Journal of Quantum Chemistry, 1984, v. 26, n. 6, p. fmi, doi. 10.1002/qua.560260601
- Publication type:
- Article
8
Semiempirical estimates of static multipole polarizabilities for free atoms.
- Published in:
- International Journal of Quantum Chemistry, 1984, v. 26, n. 6, p. 1051, doi. 10.1002/qua.560260609
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- Article
9
A classification of polyenes into 4 L + 2- and 4 L-classes on the basis of Coulson's bond orders and information theory and its application to the interpretation of electrocyclic reactions.
- Published in:
- International Journal of Quantum Chemistry, 1984, v. 26, n. 6, p. 993, doi. 10.1002/qua.560260605
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- Publication type:
- Article
10
Probable physical mechanisms of the activation of oncogenes through carcinogens.
- Published in:
- International Journal of Quantum Chemistry, 1984, v. 26, n. 5, p. 955, doi. 10.1002/qua.560260530
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- Article
11
Masthead.
- Published in:
- International Journal of Quantum Chemistry, 1984, v. 26, n. 5, p. fmi, doi. 10.1002/qua.560260501
- Publication type:
- Article
12
Pseudopotential calculations including core-valence correlation: Alkali and noble-metal compounds.
- Published in:
- International Journal of Quantum Chemistry, 1984, v. 26, n. 5, p. 725, doi. 10.1002/qua.560260512
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- Publication type:
- Article
13
Origin of high efficiency and specificity of biochemical reactions.
- Published in:
- International Journal of Quantum Chemistry, 1984, v. 26, n. 5, p. 857, doi. 10.1002/qua.560260523
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- Publication type:
- Article
14
Theoretical studies of reaction mechanism in chemistry.
- Published in:
- International Journal of Quantum Chemistry, 1984, v. 26, n. 5, p. 607, doi. 10.1002/qua.560260505
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- Publication type:
- Article
15
Charge transfer in adsorbate-substrate systems: Extension of the Anderson-Newns treatment to two- and three-dimensional substrates.
- Published in:
- International Journal of Quantum Chemistry, 1984, v. 26, n. 5, p. 769, doi. 10.1002/qua.560260516
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- Publication type:
- Article
16
A model of the primary process in photosynthesis.
- Published in:
- International Journal of Quantum Chemistry, 1984, v. 26, n. 5, p. 917, doi. 10.1002/qua.560260527
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- Publication type:
- Article
17
Simple models for large-molecule calculations.
- Published in:
- International Journal of Quantum Chemistry, 1984, v. 26, n. 5, p. 693, doi. 10.1002/qua.560260509
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- Publication type:
- Article
18
Convergence of LCAO density matrices in Hartree-Fock calculations on extended model chains.
- Published in:
- International Journal of Quantum Chemistry, 1984, v. 26, n. 5, p. 717, doi. 10.1002/qua.560260511
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- Publication type:
- Article
19
A model for biological specificity.
- Published in:
- International Journal of Quantum Chemistry, 1984, v. 26, n. 5, p. 843, doi. 10.1002/qua.560260522
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- Article
20
Theoretical approach of the chemical reactivity: The S<sub> N</sub>2 reaction.
- Published in:
- International Journal of Quantum Chemistry, 1984, v. 26, n. 5, p. 593, doi. 10.1002/qua.560260504
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- Publication type:
- Article
21
The effect of an impurity in quasi-one-dimensional systems: Green's function and cluster model approach in comparison.
- Published in:
- International Journal of Quantum Chemistry, 1984, v. 26, n. 5, p. 753, doi. 10.1002/qua.560260515
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- Publication type:
- Article
22
The photochemical primary step and the potential in the proton bridge of the chromophore of visual pigments and bacteriorhodopsin.
- Published in:
- International Journal of Quantum Chemistry, 1984, v. 26, n. 5, p. 907, doi. 10.1002/qua.560260526
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- Publication type:
- Article
23
Remarks on the concept of an atom in a molecule and on charge transfer between atoms on molecule formation.
- Published in:
- International Journal of Quantum Chemistry, 1984, v. 26, n. 5, p. 687, doi. 10.1002/qua.560260508
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- Publication type:
- Article
24
Quantum chemical studies on zeolites and silica.
- Published in:
- International Journal of Quantum Chemistry, 1984, v. 26, n. 5, p. 793, doi. 10.1002/qua.560260519
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- Publication type:
- Article
25
The concept of the chemical bond.
- Published in:
- International Journal of Quantum Chemistry, 1984, v. 26, n. 5, p. 709, doi. 10.1002/qua.560260510
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- Publication type:
- Article
26
A review of a theoretical model of the excitonic superconductivity in CdS and CuCl.
- Published in:
- International Journal of Quantum Chemistry, 1984, v. 26, n. 5, p. 831, doi. 10.1002/qua.560260521
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- Publication type:
- Article
27
The mechanisms of elementary physicochemical processes: An introductory report.
- Published in:
- International Journal of Quantum Chemistry, 1984, v. 26, n. 5, p. 563, doi. 10.1002/qua.560260503
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- Article
28
Charge distributions and chemical effects. XXXIV. Concepts involved in an approximate, but accurate, description of bond energies.
- Published in:
- International Journal of Quantum Chemistry, 1984, v. 26, n. 5, p. 743, doi. 10.1002/qua.560260514
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- Publication type:
- Article
29
Soft agonist receptor interactions: Theoretical and experimental simulation of the active site of the receptor of sweet molecules.
- Published in:
- International Journal of Quantum Chemistry, 1984, v. 26, n. 5, p. 889, doi. 10.1002/qua.560260525
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- Publication type:
- Article
30
On a semiclassical interpretation of inter- and intramolecular interactions.
- Published in:
- International Journal of Quantum Chemistry, 1984, v. 26, n. 5, p. 637, doi. 10.1002/qua.560260507
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- Article
31
Dimensional and geometrical effects on the electronic structure of polycyclic hydrocarbons.
- Published in:
- International Journal of Quantum Chemistry, 1984, v. 26, n. 5, p. 783, doi. 10.1002/qua.560260518
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- Publication type:
- Article
32
Dynamics of enzyme reactions in solution and in heterogeneous media.
- Published in:
- International Journal of Quantum Chemistry, 1984, v. 26, n. 5, p. 943, doi. 10.1002/qua.560260529
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- Publication type:
- Article
33
Electron-hole pair excitation in atom-surface scattering.
- Published in:
- International Journal of Quantum Chemistry, 1984, v. 26, n. 5, p. 823, doi. 10.1002/qua.560260520
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- Article
34
Introduction.
- Published in:
- International Journal of Quantum Chemistry, 1984, v. 26, n. 5, p. v, doi. 10.1002/qua.560260502
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- Publication type:
- Article
35
On the interplay between theory and experiment in molecular structure problems: Some case studies.
- Published in:
- International Journal of Quantum Chemistry, 1984, v. 26, n. 5, p. 729, doi. 10.1002/qua.560260513
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- Publication type:
- Article
36
Structure and function of protamines: An investigation of clupeine properties by nuclear magnetic resonance.
- Published in:
- International Journal of Quantum Chemistry, 1984, v. 26, n. 5, p. 873, doi. 10.1002/qua.560260524
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- Publication type:
- Article
37
Gas phase unimolecular 1,1-hydrogen elimination: Reaction mechanism and isotope effect.
- Published in:
- International Journal of Quantum Chemistry, 1984, v. 26, n. 5, p. 621, doi. 10.1002/qua.560260506
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- Publication type:
- Article
38
Preliminary results of a theoretical ab initio model study of adsorption on ionic crystals.
- Published in:
- International Journal of Quantum Chemistry, 1984, v. 26, n. 5, p. 775, doi. 10.1002/qua.560260517
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- Publication type:
- Article
39
Metal ions in biological system.
- Published in:
- International Journal of Quantum Chemistry, 1984, v. 26, n. 5, p. 933, doi. 10.1002/qua.560260528
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- Publication type:
- Article
40
Multibody analysis of potential energy surfaces for first- and second-row tetramers. II. The cases of O<sub>4</sub> and S<sub>4</sub>.
- Published in:
- International Journal of Quantum Chemistry, 1984, v. 26, n. 4, p. 521, doi. 10.1002/qua.560260410
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- Publication type:
- Article
41
A spin-dependent unitary group approach to many-electron systems.
- Published in:
- International Journal of Quantum Chemistry, 1984, v. 26, n. 4, p. 441, doi. 10.1002/qua.560260403
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- Publication type:
- Article
42
Why is there a molecular relativistic effect?
- Published in:
- International Journal of Quantum Chemistry, 1984, v. 26, n. 4, p. 489, doi. 10.1002/qua.560260407
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43
Editor' Note.
- Published in:
- International Journal of Quantum Chemistry, 1984, v. 26, n. 4, p. i, doi. 10.1002/qua.560260402
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44
Usage de l'algkbre de lie su( n) dans l'etude des systèmes quantiques à n etats. III. Définition et obtention des constantes du mouvement conjoncturelles.
- Published in:
- International Journal of Quantum Chemistry, 1984, v. 26, n. 4, p. 479, doi. 10.1002/qua.560260406
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- Publication type:
- Article
45
Iterative degenerate perturbation theory.
- Published in:
- International Journal of Quantum Chemistry, 1984, v. 26, n. 4, p. 463, doi. 10.1002/qua.560260405
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- Publication type:
- Article
46
Masthead.
- Published in:
- International Journal of Quantum Chemistry, 1984, v. 26, n. 4, p. fmi, doi. 10.1002/qua.560260401
- Publication type:
- Article
47
Configuration interaction matrix elements for atoms using permutation group algebra.
- Published in:
- International Journal of Quantum Chemistry, 1984, v. 26, n. 4, p. 507, doi. 10.1002/qua.560260409
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- Publication type:
- Article
48
Molecular integrals arising in the linear response theory of van der waals forces.
- Published in:
- International Journal of Quantum Chemistry, 1984, v. 26, n. 4, p. 535, doi. 10.1002/qua.560260411
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- Publication type:
- Article
49
Brillouin-zone double integrals.
- Published in:
- International Journal of Quantum Chemistry, 1984, v. 26, n. 4, p. 457, doi. 10.1002/qua.560260404
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- Publication type:
- Article
50
Perturbation theory without wave function for multidimensional systems.
- Published in:
- International Journal of Quantum Chemistry, 1984, v. 26, n. 4, p. 497, doi. 10.1002/qua.560260408
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- Publication type:
- Article