Proceedings of the First Donegani Scientific Workshop on Strategies for Computer Chemistry October 12 - 13, 1987
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| Format: | Tagungsbericht Buch |
| Sprache: | English |
| Veröffentlicht: |
Dordrecht [u.a.]
Kluwer
1989
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| Online-Zugang: | Inhaltsverzeichnis |
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| 245 | 1 | 0 | |a Proceedings of the First Donegani Scientific Workshop on Strategies for Computer Chemistry |b October 12 - 13, 1987 |c ed. by Camillo Tosi |
| 246 | 1 | 3 | |a Strategies for computer chemistry |
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Datensatz im Suchindex
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| adam_text | PROCEEDINGS OF THE FIRST DONEGANI SCIENTIFIC WORKSHOP ON STRATEGIES FOR
COMPUTER CHEMISTRY OCTOBER 12-13,1987 EDITED BY CAMILLO TOSI ISTITUTO
GUIDO DONEGANI, NOVARA, ITALY UN!VERSTATSB!3UOTHEK KLUWER ACADEMIC
PUBLISHERS DORDRECHT / BOSTON / LONDON CONTENTS R. GIACCONI PREFACE 1 A.
COLLINA WELCOME ADDRESS 3 C. TOSI THE WHY S OF THIS WORKSHOP 5 KJ.
RASMUSSEN DEVELOPMENT OF POTENTIAL ENERGY FUNCTIONS FOR USE IN
CONFORMATIONAL ANALYSIS 13 F. AVBELJ, J. MOULT, D.H. KITSON*, M.N.G.
JAMES AND A.T. HAGLER THEORETICAL STUDIES OF THE ENERGETICS AND DYNAMICS
OF THE AQUEOUS AND IONIC ENVIRONMENT ABOUT PROTEINS: CRYSTALS OF
STREPTOMYCES GRISEUS PROTEASE A 31 F. BERNARDI*, A. BOTTONI, J.J.W. MC
DOUALL, M. OLIVUCCI, M.A. ROBB, G. TONACHINI AND A. VENTURINI BOND
LENGTHS IN TRANSITION STRUCTURES AND INTERMEDIA- TES OF CYCLOADDITION
REACTIONS 33 J. M. ANDRE SOME ASPECTS OF COMPUTATIONAL POLYMER QUANTUM
CHEM- ISTRY 45 P. FANTUCCI*, V. BONAC LC-KOUTECKY AND J. KOUTECKY AB
INITIO CONFIGURATION INTERACTION STUDY OF ELEC- TRONIC AND GEOMETRIC
STRUCTURE OF ALKALI METAL CLUS- TERS 79 D.P. DOLATA WIZARD: ARTIFICIAL
INTELLIGENCE AND CONFORMATIONAL ANALYSIS 93 G. ZERBI STATE OF THE ART IN
VIBRATIONAL DYNAMICS OF LARGE MOLECULES 109 G.B. BACHELET DENSITY
FUNCTIONAL THEORY AND FIRST-PRINCIPLES PSEU- DOPOTENTIALS: TWO IMPORTANT
TOOLS IN SOLID-STATE THEORY 119 M. MARSILI AUTODEDUCTIVE MODELING AND
OPTIMIZATION IN CHEMO- METRICS 161 R. SCORDAMAGLIA* AND L. BARINO
STATISTICAL DISTRIBUTION OF MOLECULAR CONFORMATIONS AND ITS APPLICATION
IN QSAR RESEARCH 179 L. BARINO* AND R. SCORDAMAGLIA MOLECULAR CHAIN
FLEXIBILITY AND PHASE TRANSITIONS IN POLYMERS 193 R. MOLL GENERAL
ASPECTS OF COMPUTER-AIDED SYNTHESIS PLANNING 213 R. FUSCO*, L.
CACCIANOTTI AND C. TOSI DETECTION AND STRUCTURAL DESCRIPTION OF THE
DEEPEST MINIMA IN A POTENTIAL ENERGY HYPERSURFACE 227 G. RANGHINO MONTE
CARLO SIMULATION OF THE SOLVATION OF A RIBO- NUCLEOTIDE 245 ROUND TABLE
DISCUSSION ON THE ORGANIZATION OF A MOLECULAR MODELING GROUP IN A
CHEMICAL INDUSTRY 251 AUTHOR INDEX 265
|
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| author_facet | Donegani Scientific Workshop Novara |
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| discipline | Chemie / Pharmazie |
| format | Conference Proceeding Book |
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| genre | (DE-588)1071861417 Konferenzschrift 1987 Novara gnd-content |
| genre_facet | Konferenzschrift 1987 Novara |
| id | DE-604.BV003648654 |
| illustrated | Illustrated |
| indexdate | 2024-12-23T11:02:37Z |
| institution | BVB |
| institution_GND | (DE-588)1218846-3 |
| isbn | 9027728321 |
| language | English |
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| physical | VI, 263 S. Ill., graph. Darst. |
| publishDate | 1989 |
| publishDateSearch | 1989 |
| publishDateSort | 1989 |
| publisher | Kluwer |
| record_format | marc |
| spellingShingle | Proceedings of the First Donegani Scientific Workshop on Strategies for Computer Chemistry October 12 - 13, 1987 Chemie (DE-588)4009816-3 gnd Datenverarbeitung (DE-588)4011152-0 gnd |
| subject_GND | (DE-588)4009816-3 (DE-588)4011152-0 (DE-588)1071861417 |
| title | Proceedings of the First Donegani Scientific Workshop on Strategies for Computer Chemistry October 12 - 13, 1987 |
| title_alt | Strategies for computer chemistry |
| title_auth | Proceedings of the First Donegani Scientific Workshop on Strategies for Computer Chemistry October 12 - 13, 1987 |
| title_exact_search | Proceedings of the First Donegani Scientific Workshop on Strategies for Computer Chemistry October 12 - 13, 1987 |
| title_full | Proceedings of the First Donegani Scientific Workshop on Strategies for Computer Chemistry October 12 - 13, 1987 ed. by Camillo Tosi |
| title_fullStr | Proceedings of the First Donegani Scientific Workshop on Strategies for Computer Chemistry October 12 - 13, 1987 ed. by Camillo Tosi |
| title_full_unstemmed | Proceedings of the First Donegani Scientific Workshop on Strategies for Computer Chemistry October 12 - 13, 1987 ed. by Camillo Tosi |
| title_short | Proceedings of the First Donegani Scientific Workshop on Strategies for Computer Chemistry |
| title_sort | proceedings of the first donegani scientific workshop on strategies for computer chemistry october 12 13 1987 |
| title_sub | October 12 - 13, 1987 |
| topic | Chemie (DE-588)4009816-3 gnd Datenverarbeitung (DE-588)4011152-0 gnd |
| topic_facet | Chemie Datenverarbeitung Konferenzschrift 1987 Novara |
| url | http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=002324036&sequence=000001&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA |
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