Volume 28; Issue Supplement

International Journal of Quantum Chemistry

Volume 28; Issue Supplement
1

Masthead

Year:
1985
Language:
english
File:
PDF, 64 KB
english, 1985
2

Introduction

Year:
1985
Language:
english
File:
PDF, 48 KB
english, 1985
6

Intermediate water structures in solution of alanine dipeptide

Year:
1985
Language:
english
File:
PDF, 530 KB
english, 1985
23

Perturbation of cell-selfregulation through oncoproteins

Year:
1985
Language:
english
File:
PDF, 534 KB
english, 1985
24

The redox-mediated control of enzyme function and cellular structure

Year:
1985
Language:
english
File:
PDF, 514 KB
english, 1985
25

Metabolism and cancer

Year:
1985
Language:
english
File:
PDF, 288 KB
english, 1985
27

Molecular electric mechanism for discrimination of amino acid by cognate tRNA

Year:
1985
Language:
english
File:
PDF, 351 KB
english, 1985
28

Abstract

Year:
1985
Language:
english
File:
PDF, 89 KB
english, 1985
29

Masthead

Year:
1985
Language:
english
File:
PDF, 67 KB
english, 1985
30

Introduction

Year:
1985
Language:
english
File:
PDF, 476 KB
english, 1985
31

List of participants: Part II

Year:
1985
Language:
english
File:
PDF, 338 KB
english, 1985
32

Introductory remarks

Year:
1985
Language:
english
File:
PDF, 154 KB
english, 1985
34

The AGP-based polarization propagator

Year:
1985
Language:
english
File:
PDF, 388 KB
english, 1985
37

Angular momentum adaptation of spinor basis

Year:
1985
Language:
english
File:
PDF, 309 KB
english, 1985
38

The projection operators of SU(2) and the Sanibel coefficients

Year:
1985
Language:
english
File:
PDF, 355 KB
english, 1985
39

The reaction polyhedron and group theory of reaction mechanisms

Year:
1985
Language:
english
File:
PDF, 631 KB
english, 1985
40

Factoring the characteristic polynomial

Year:
1985
Language:
english
File:
PDF, 619 KB
english, 1985
45

An exact one-electron model of the helium atom ground state

Year:
1985
Language:
english
File:
PDF, 295 KB
english, 1985
47

Towards a modular system in computational quantum chemistry

Year:
1985
Language:
english
File:
PDF, 376 KB
english, 1985
48

A unified many-body theory of dielectronic recombination and autoionization

Year:
1985
Language:
english
File:
PDF, 596 KB
english, 1985
49

Direct coupled cluster calculations on excited states

Year:
1985
Language:
english
File:
PDF, 215 KB
english, 1985
53

Ionization potentials of molecular systems with many electrons

Year:
1985
Language:
english
File:
PDF, 375 KB
english, 1985
55

Basis set study in pseudopotential method

Year:
1985
Language:
english
File:
PDF, 276 KB
english, 1985
60

The hydrogen atom in the hydrogen molecule

Year:
1985
Language:
english
File:
PDF, 635 KB
english, 1985
62

Second-order calculation on the doublet Pi CO shape resonance

Year:
1985
Language:
english
File:
PDF, 254 KB
english, 1985
65

Models for the spectra of bridged mixed-valence dimers

Year:
1985
Language:
english
File:
PDF, 420 KB
english, 1985
67

Quantum mechanical engineering of short range potentials

Year:
1985
Language:
english
File:
PDF, 327 KB
english, 1985
69

Collisional time-correlation functions for molecular interactions

Year:
1985
Language:
english
File:
PDF, 579 KB
english, 1985
71

Basis for coupled channel approach to reactive scattering

Year:
1985
Language:
english
File:
PDF, 430 KB
english, 1985
73

Density functionals beyond the local density approximation

Year:
1985
Language:
english
File:
PDF, 254 KB
english, 1985
74

Density functional theory and the band gap problem

Year:
1985
Language:
english
File:
PDF, 1.19 MB
english, 1985
77

Electronic structure of semiconductor interfaces

Year:
1985
Language:
english
File:
PDF, 602 KB
english, 1985
78

Total atomic binding energy via the density functional theory

Year:
1985
Language:
english
File:
PDF, 280 KB
english, 1985
82

Electronic structure of small sodium clusters

Year:
1985
Language:
english
File:
PDF, 1.11 MB
english, 1985
85

Orthonormalization and symmetry adaptation of crystal orbitals

Year:
1985
Language:
english
File:
PDF, 477 KB
english, 1985
90

Electron correlation and electron momenta in polyacetylene

Year:
1985
Language:
english
File:
PDF, 435 KB
english, 1985
92

The protonic counterpart of electronegativity

Year:
1985
Language:
english
File:
PDF, 85 KB
english, 1985
96

On the nonlinear schrödinger equation

Year:
1985
Language:
english
File:
PDF, 90 KB
english, 1985
97

Breakdown of the Born approximation in Aharonov-Bohm scattering

Year:
1985
Language:
english
File:
PDF, 57 KB
english, 1985
98

Properties of the exact universal density and one-matrix functionals

Year:
1985
Language:
english
File:
PDF, 84 KB
english, 1985
102

Erratum: A generalized non-muffin-tin theory of band structure

Year:
1985
Language:
english
File:
PDF, 76 KB
english, 1985