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

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

Datum izdavanja: 14.01.1985.
Objavljen na Hrčku: 26.02.2018.

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Prologue (str. I-III)

Zvonimir B. Maksić
Uvodnik

engleski pdf 1396kb

Abstracts and Contents (str. IV-XIV)

Kazalo

engleski pdf 4606kb

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

Zelek S. Herman, Linus Pauling
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engleski pdf 5937kb

On Determining Orbital Hybridization (str. 779-786)

William E. Palke
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engleski pdf 3909kb

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

Giuseppe Del Re, Claudette Barbier
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engleski pdf 7400kb

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

Dragan Lj. Vučković, Ljubica Vujisić
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engleski pdf 7692kb

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

Keith H. Aufderheide
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engleski pdf 19196kb

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

Peter R. Surjan
Pregledni rad

engleski pdf 18502kb

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

Ede Kapuy, Zoltan Csepes, Cornelia Kozmutza
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engleski pdf 7879kb

Weak Interactions Between Molecules (str. 865-878)

Roy McWeeny
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engleski pdf 12623kb

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

Amelia Garcia-Leigh, John N. Murrell
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engleski pdf 7016kb

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

Martin Klessinger
Pregledni rad

engleski pdf 14241kb

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

Gabor Naray-Szabo
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engleski pdf 9736kb

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

Fernando Bernardi, Andrea Bottoni, Glauco Tonachini
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engleski pdf 13085kb

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

Lawrence S. Bartell
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engleski pdf 14613kb

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

Karl Jug
Pregledni rad

engleski pdf 13311kb

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

Benjamin M. Gimarc
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engleski pdf 4152kb

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

Evi Honegger, Zhong-zhi Yang, Edgar Heilbronner
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engleski pdf 8400kb

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

Jens Spanget-Larsen
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engleski pdf 8220kb

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

John E. Bloor, Ronald E. Sherrod
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engleski pdf 12918kb

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

Nicolaos D. Epiotis, James R. Larson, Hugh H. Eaton
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engleski pdf 13264kb

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

Peter Politzer, Barbara A. Zilles
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engleski pdf 4693kb

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

Dušan Hadži, Milan Hodošček, Darko Kocjan, Tomaž Šolmajer, Franc Avbelj
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engleski pdf 6913kb

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

Maurice Kibler
Pregledni rad

engleski pdf 18820kb

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

Carl J. Ballhausen
Pregledni rad

engleski pdf 6610kb

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

Marion L. Ellzey
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engleski pdf 10884kb

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

Michael Grodzicki
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engleski pdf 14359kb

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

Boris Galabov, Bogdana Nikolova, William J. Orville-Thomas
Pregledni rad

engleski pdf 17158kb

Homoconjugation in Radical Cations (str. 1165-1176)

Robert C. Haddon, Heinz D. Roth
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engleski pdf 10442kb

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

Helmut Vogler
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engleski pdf 13783kb

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

Jeremy K. Burdett, Stephen Lee, William C. Sha
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engleski pdf 16148kb

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

Nenad Raos, Vladimir Simeon
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engleski pdf 3411kb

Penetration in the CNDO Theory (str. 1225-1229)

Alexander Koukoulas, Michael A . Whitehead
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engleski pdf 2321kb

Foreword (str. 0-0)

Zvonimir B. Maksić
Uvodnik

engleski pdf 392kb

Introduction (str. 0-0)

Ostalo

engleski pdf 124kb

Impressum (str. 0-0)