Croatica Chemica Acta, Vol. 57 No. 5, 1984.

Croatica Chemica Acta , Vol. 57 No. 5, 1984.

Publication date: 14.01.1985.
Published on HRČAK: 26.02.2018.

Table of contents

Full text

Prologue (page I-III)

Zvonimir B. Maksić
Editorial

english pdf 1396kb

Abstracts and Contents (page IV-XIV)

Index

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Hybrid Bond Orbitals and Bond Strengths for Pentacovalent Bonding (page 765-778)

Zelek S. Herman, Linus Pauling
Original scientific paper

english pdf 5937kb

On Determining Orbital Hybridization (page 779-786)

William E. Palke
Original scientific paper

english pdf 3909kb

In Situ Atomic Orbitals and Extended Basis Molecular Calculations (page 787-800)

Giuseppe Del Re, Claudette Barbier
Original scientific paper

english pdf 7400kb

Structure and Properties of Small Ring Propellanes by the IMO Method (page 801-810)

Dragan Lj. Vučković, Ljubica Vujisić
Original scientific paper

english pdf 7692kb

A Localized Atomic Orbital Description of the Rotational Barrier in Ethane (page 811-831)

Keith H. Aufderheide
Original scientific paper

english pdf 19196kb

The Representation of the Chemical Bond in Quantum Chemical Calculations (page 833-854)

Peter R. Surjan
Review article

english pdf 18502kb

Many-Body Perturbation Theory Based on Localized Orbitals (page 855-864)

Ede Kapuy, Zoltan Csepes, Cornelia Kozmutza
Original scientific paper

english pdf 7879kb

Weak Interactions Between Molecules (page 865-878)

Roy McWeeny
Original scientific paper

english pdf 12623kb

On the Stability of BHJ and BFJ Adducts with BF, CO and N2 (page 879-886)

Amelia Garcia-Leigh, John N. Murrell
Original scientific paper

english pdf 7016kb

Fragment Molecular Orbitals for Molecules and Interacting Systems (page 887-899)

Martin Klessinger
Review article

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Chemical Fragmentation for Molecular Orbital Calculations on Proteins (page 901-910)

Gabor Naray-Szabo
Original scientific paper

english pdf 9736kb

A Quantitative Analysis of the Role of Non-Bonded and Geminal Interactions in H2N-X Molecules (page 911-925)

Fernando Bernardi, Andrea Bottoni, Glauco Tonachini
Original scientific paper

english pdf 13085kb

Do the VSEPR Points-on-a-Sphere Repulsions Simulate Quantum Interactions? (page 927-939)

Lawrence S. Bartell
Original scientific paper

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Bond Order as a Tool for Molecular Structure and Reactivity (page 941-953)

Karl Jug
Review article

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Nonbonded Bond Orders, Molecular Conformations, and Relative Stabilities of Sulfur-Nitrogen Rings and Chains (page 955-965)

Benjamin M. Gimarc
Original scientific paper

english pdf 4152kb

The Equivalent Bond Orbital Model Revisited: I. Orbitals, Orbital Energies and PE Spectra of Saturated Hydrocarbons (page 967-990)

Evi Honegger, Zhong-zhi Yang, Edgar Heilbronner
Original scientific paper

english pdf 8400kb

Breakdown of the One-Electron Picture of Ionization for Hydrocarbon n Systems (page 991-1010)

Jens Spanget-Larsen
Original scientific paper

english pdf 8220kb

An Overlapping Spheres Multiple Scattering Xa Study of the Perfluoro Effect on the Ionisation Potentials and Electron Transmission Spectra of Fluorosubstituted Benzenes (page 1011-1030)

John E. Bloor, Ronald E. Sherrod
Original scientific paper

english pdf 12918kb

»Common Denominators« by the MOVB Method: The Structures of H20, H202, and Their Derivatives (page 1031-1053)

Nicolaos D. Epiotis, James R. Larson, Hugh H. Eaton
Original scientific paper

english pdf 13264kb

Some Observations Concerning Electronic Densities, Electrostatic Potentials and Chemical Potentials (page 1055-1064)

Peter Politzer, Barbara A. Zilles
Original scientific paper

english pdf 4693kb

The Molecular Electrostatic Potential as a Determinant of Receptor-Drug Recognition (page 1065-1074)

Dušan Hadži, Milan Hodošček, Darko Kocjan, Tomaž Šolmajer, Franc Avbelj
Original scientific paper

english pdf 6913kb

Symmetry Adaptation and Wigner-Racah Algebras in Quantum Chemistry (page 1075-1095)

Maurice Kibler
Review article

english pdf 18820kb

The E ® E Jahn-Teller Coupling: Models and Manifestations (page 1097-1106)

Carl J. Ballhausen
Review article

english pdf 6610kb

Derivation of the AOM Parameterization from the Effective Hamiltonian for Complexed Transition Metal Ions with Application to Effectively Tetragonal Four-Coordinate Systems (page 1107-1124)

Marion L. Ellzey
Original scientific paper

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The Applicability of Point-Charge Approximations to the Calculation of Molecular Expectation Values (page 1125-1144)

Michael Grodzicki
Original scientific paper

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Infrared Band Intensities, Electric Charge Distribution in Molecules and Polar Properties of Valence Bonds (page 1145-1164)

Boris Galabov, Bogdana Nikolova, William J. Orville-Thomas
Review article

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Homoconjugation in Radical Cations (page 1165-1176)

Robert C. Haddon, Heinz D. Roth
Original scientific paper

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A Theoretical Study of the 1H-Chemical Shifts of [4n]- and [4n + 2]-Annulenes and their Di- and Tetraanions (page 1177-1191)

Helmut Vogler
Original scientific paper

english pdf 13783kb

The Method of Moments and the Energy Levels of Molecules and Solids (page 1193-1216)

Jeremy K. Burdett, Stephen Lee, William C. Sha
Original scientific paper

english pdf 16148kb

Conformational Analysis of Bis-(N,N-Dimethylisoleucinato)copper(II): Estimation of the Diastereoselectivity Effect by Means of two Approximate Methods (page 1217-1224)

Nenad Raos, Vladimir Simeon
Original scientific paper

english pdf 3411kb

Penetration in the CNDO Theory (page 1225-1229)

Alexander Koukoulas, Michael A . Whitehead
Original scientific paper

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Foreword (page 0-0)

Zvonimir B. Maksić
Editorial

english pdf 392kb

Introduction (page 0-0)

Other

english pdf 124kb

Impressum (page 0-0)