New horizons of quantum chemistry: proceedings of the 4th International Congress of Quantum Chemistry held at Uppsala, Sweden, June 14-19, 1982
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| Other Authors: | |
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| Format: | Conference Proceeding Book |
| Language: | English |
| Published: |
Dordrecht [u.a.]
Reidel
1983
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| Subjects: | |
| Online Access: | Inhaltsverzeichnis |
| Physical Description: | VII, 457 S. graph. Darst. |
| ISBN: | 9027715262 |
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| adam_text | IMAGE 1
ACADEMIE INTERNATIONALE DES SCIENCES MOLECULAIRES QUANTIQUES
INTERNATIONAL ACADEMY OF QUANTUM MOLECULAR SCIENCE
NEW HORIZONS OF QUANTUM CHEMISTRY PROCEEDINGS OF THE FOURTH
INTERNATIONAL CONGRESS OF QUANTUM CHEMISTRY HELD AT UPPSALA, SWEDEN,
JUNE 14-19, 1982
EDITED BY
PER-OLOV LOWDIN
DEPARTMENT OF QUANTUM CHEMISTRY, UPPSALA UNIVERSITY, UPPSALA, SWEDEN
AND
BERNARD PULLMAN INSTITUT DE BIOLOGIE PHYSICO-CHIMIQUE, PARIS, FRANCE
UNIVERSITATSBIBLIOTHEK HANNOVER TECHNISCHE INFORMATION8BIBLIOTHEK
D. REIDEL PUBLISHING COMPANY
DORDRECHT : HOLLAND / BOSTON : U.S.A. LONDON:ENGLAND
IMAGE 2
FT/V WJ F4 )
TABLE OF CONTENTS
PREFACE
IX
SYMPOSIUM I. QUANTUM MECHANICAL METHODS CHAIRMAN: R. DAUDEL
R. DAUDEL INTRODUCTION TO THE FIRST SYMPOSIUM 1
G. G, EMCH CLASSICAL IMPLICATIONS OF THE QUANTUM STATISTICAL
INTERPRETATION 5 J. LINDERBERG PROPAGATORS, SCATTERING THEORY AND
CHEMICAL REACTIONS 7
B. BRANDOW
DEGENERATE PERTURBATION THEORY 15
J. PALDUS
COUPLED CLUSTER APPROACHES TO MANY-ELECTRON CORRELATION PROBLEM 31
SYMPOSIUM II. TIME INDEPENDENT PHENOMENA
CHAIRMAN: E. B. WILSON
E. B. WILSON CHAIRMAN S INTRODUCTION TO SECOND SYMPOSIUM 61
A. S. DAVYDOV ENERGY TRANSFER ALONG ALPHA-HELICAL PROTEINS 65
R. S. BERRY, G. S. EZRA AND G. NATANSON COLLECTIVE AND
INDEPENDENT-PARTICLE MOTION IN SIMPLE ATOMS AND MOLECULES: A
UNIFICATION? 77
P. VON RAGUE SCHLEYER ARE CLI6, NLI5, OLI4, ETC HYPERVALENT? 95
IMAGE 3
VI TABLE OF CONTENTS
SYMPOSIUM III. TIME DEPENDENT PHENOMENA
CHAIRMAN: K. FUKUI
K. FUKUI INTRODUCTORY REMARKS ON THE TIME-DEPENDENT PHENOMENA AND
RELATED TOPICS 111
E. E. NIKITIN NONADIABATIC EFFECTS IN SLOW ATOMIC COLLISIONS
MANY-TRAJECTORY SEMICLASSICAL APPROXIMATION 117
R. D. LEVINE TIME DEPENDENT CONSTANTS OF THE MOTION 135
F. A. GIANTURCO ELECTRON MOLECULE SCATTERING AT LOW ENERGIES: RELATIONS
BETWEEN DYNAMICS AND STRUCTURE 155
SYMPOSIUM IV. COMPUTATIONAL QUANTUM CHEMISTRY CHAIRMAN: J. A. POPLE
J. A. POPLE COMPUTATIONAL QUANTUM CHEMISTRY: INTRODUCTORY REMARKS 179
R. J. BUENKER AND S. D. PEYERIMHOFF AB INITIO CALCULATIONS CLOSE TO THE
FULL CI LEVEL OF ACCURACY AND THEIR USE FOR THE INTERPRETATION OF
MOLECULAR SPECTRA 183
K. MOROKUMA, S. KATO, K. KITAURA, S. OBARA, K. OHTA AND M. HANAMURA
POTENTIAL ENERGY SURFACES OF CHEMICAL REACTIONS 221
W. KOIOS AB-INITIO METHODS IN CALCULATIONS OF INTERMOLECULAR
INTERACTION ENERGIES 243
I. SHAVITT THE UNITARY GROUP AND THE ELECTRON CORRELATION PROBLEM 279
SYMPOSIUM V. A. SURFACES AND CATALYSIS
CHAIRMAN: M. SIMONETTA
M. SIMONETTA FROM HETEROGENEOUS CATALYSIS TO SURFACE CHEMISTRY AND
CHEMISORPTION 295
G. A. SOMORJAI MOLECULAR INGREDIENTS OF HETEROGENEOUS CATALYSIS 305
J.
B. PENDRY NEW PERSPECTIVES IN SURFACE CRYSTALLOGRAPHY 339
IMAGE 4
TABLE OF CONTENTS VII
SYMPOSIUM V. B. THEORY OF LARGE MOLECULES AND SOLIDS CHAIRMAN: J.
KOUTECKY
J. KOUTECKY INTRODUCTORY REMARKS TO SYMPOSIUM 5B: LARGE MOLECULES AND
SOLID STATE THEORY 351
A. W. OVERHAUSER
INSIGHTS IN MANY-ELECTRON THEORY FROM THE CHARGE DENSITY WAVE STRUCTURE
OF POTASSIUM 35 7
K. CARNEIRO MOLECULAR SEMICONDUCTORS, METALS AND SUPERCONDUCTORS 373
SYMPOSIUM VI. QUANTUM BIOLOGY AND QUANTUM PHARMACOLOGY CHAIRMAN: B.
PULLMAN
B. PULLMAN
INTRODUCTION
395
YU. A. OVCHINNIKOV MEMBRANE PROTEINS AS ION CHANNELS 399
P. SCHUSTER
EVOLUTION OF MOLECULES 417
R. LAVERY AND A. PULLMAN THE MCM (MOST COMPLICATED MOLECULE) IN TODAY S
QUANTUM CHEMISTRY: TRNAPHE, MOLECULAR POTENTIAL VERSUS MOLECULAR FIELD.
439
INDEX OF SUBJECTS 453
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| spelling | New horizons of quantum chemistry proceedings of the 4th International Congress of Quantum Chemistry held at Uppsala, Sweden, June 14-19, 1982 ed. by Per-Olov Löwdin ... Dordrecht [u.a.] Reidel 1983 VII, 457 S. graph. Darst. txt rdacontent n rdamedia nc rdacarrier Quantenchemie (DE-588)4047979-1 gnd rswk-swf (DE-588)1071861417 Konferenzschrift 1982 gnd-content Quantenchemie (DE-588)4047979-1 s DE-604 Löwdin, Per Olov 1916-2000 (DE-588)124396747 edt International Congress of Quantum Chemistry 4 1982 Uppsala Sonstige (DE-588)1214890-8 oth GBV Datenaustausch application/pdf http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=004978822&sequence=000001&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA Inhaltsverzeichnis |
| spellingShingle | New horizons of quantum chemistry proceedings of the 4th International Congress of Quantum Chemistry held at Uppsala, Sweden, June 14-19, 1982 Quantenchemie (DE-588)4047979-1 gnd |
| subject_GND | (DE-588)4047979-1 (DE-588)1071861417 |
| title | New horizons of quantum chemistry proceedings of the 4th International Congress of Quantum Chemistry held at Uppsala, Sweden, June 14-19, 1982 |
| title_auth | New horizons of quantum chemistry proceedings of the 4th International Congress of Quantum Chemistry held at Uppsala, Sweden, June 14-19, 1982 |
| title_exact_search | New horizons of quantum chemistry proceedings of the 4th International Congress of Quantum Chemistry held at Uppsala, Sweden, June 14-19, 1982 |
| title_full | New horizons of quantum chemistry proceedings of the 4th International Congress of Quantum Chemistry held at Uppsala, Sweden, June 14-19, 1982 ed. by Per-Olov Löwdin ... |
| title_fullStr | New horizons of quantum chemistry proceedings of the 4th International Congress of Quantum Chemistry held at Uppsala, Sweden, June 14-19, 1982 ed. by Per-Olov Löwdin ... |
| title_full_unstemmed | New horizons of quantum chemistry proceedings of the 4th International Congress of Quantum Chemistry held at Uppsala, Sweden, June 14-19, 1982 ed. by Per-Olov Löwdin ... |
| title_short | New horizons of quantum chemistry |
| title_sort | new horizons of quantum chemistry proceedings of the 4th international congress of quantum chemistry held at uppsala sweden june 14 19 1982 |
| title_sub | proceedings of the 4th International Congress of Quantum Chemistry held at Uppsala, Sweden, June 14-19, 1982 |
| topic | Quantenchemie (DE-588)4047979-1 gnd |
| topic_facet | Quantenchemie Konferenzschrift 1982 |
| url | http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=004978822&sequence=000001&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA |
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