Proceedings of the First Donegani Scientific Workshop on Strategies for Computer Chemistry
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Published By Springer Netherlands

9789401076739, 9789400925991

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Ab Initio Configuration Interaction Study of Electronic and Geometric Structure of Alkali Metal Clusters

Proceedings of the First Donegani Scientific Workshop on Strategies for Computer Chemistry ◽

10.1007/978-94-009-2599-1_8 ◽

1989 ◽

pp. 79-91

Author(s):

Piercarlo Fantucci ◽

Vlasta Bonačić-Koutecký ◽

Jaroslav Koutecký

Keyword(s):

Alkali Metal ◽

Ab Initio ◽

Configuration Interaction ◽

Geometric Structure ◽

Metal Clusters ◽

Interaction Study ◽

Alkali Metal Clusters

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Theoretical Studies of the Energetics and Dynamics of the Aqueous and Ionic Environment about Proteins: Crystals of Streptomyces Griseus Protease A

Proceedings of the First Donegani Scientific Workshop on Strategies for Computer Chemistry ◽

10.1007/978-94-009-2599-1_5 ◽

1989 ◽

pp. 31-32

Author(s):

F. Avbelj ◽

J. Moult ◽

D. H. Kitson ◽

M. N. G. James ◽

A. T. Hagler

Keyword(s):

Streptomyces Griseus ◽

Theoretical Studies ◽

Ionic Environment

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Development of potential energy functions for use in conformational analysis

Proceedings of the First Donegani Scientific Workshop on Strategies for Computer Chemistry ◽

10.1007/978-94-009-2599-1_4 ◽

1989 ◽

pp. 13-29

Author(s):

Kjeld Rasmussen

Keyword(s):

Potential Energy ◽

Conformational Analysis ◽

Energy Functions ◽

Potential Energy Functions

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The Why’s of this Workshop

Proceedings of the First Donegani Scientific Workshop on Strategies for Computer Chemistry ◽

10.1007/978-94-009-2599-1_3 ◽

1989 ◽

pp. 5-11

Author(s):

Camillo Tosi

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Round Table Discussion on The Organization of a Molecular Modeling Group in a Chemical Industry

Proceedings of the First Donegani Scientific Workshop on Strategies for Computer Chemistry ◽

10.1007/978-94-009-2599-1_18 ◽

1989 ◽

pp. 251-263

Author(s):

Giuseppe Allegra

Keyword(s):

Molecular Modeling ◽

Chemical Industry ◽

Round Table ◽

Round Table Discussion ◽

Table Discussion ◽

Modeling Group

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Molecular Chain Flexibility and Phase Transitions in Polymers

Proceedings of the First Donegani Scientific Workshop on Strategies for Computer Chemistry ◽

10.1007/978-94-009-2599-1_14 ◽

1989 ◽

pp. 193-211

Author(s):

Luisa Barino ◽

Raimondo Scordamaglia

Keyword(s):

Phase Transitions ◽

Molecular Chain ◽

Chain Flexibility

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Bond lengths in transition structures and intermediates of cycloaddition reactions

Proceedings of the First Donegani Scientific Workshop on Strategies for Computer Chemistry ◽

10.1007/978-94-009-2599-1_6 ◽

1989 ◽

pp. 33-44

Author(s):

Fernando Bernardi ◽

Andrea Bottoni ◽

Joseph J. W. McDouall ◽

Massimo Olivucci ◽

Michael A. Robb ◽

...

Keyword(s):

Cycloaddition Reactions ◽

Bond Lengths ◽

Transition Structures

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Welcome Address

Proceedings of the First Donegani Scientific Workshop on Strategies for Computer Chemistry ◽

10.1007/978-94-009-2599-1_2 ◽

1989 ◽

pp. 3-3

Author(s):

Amilcare Collina

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Detection and Structural Description of the Deepest Minima in a Potential Energy Hypersurface

Proceedings of the First Donegani Scientific Workshop on Strategies for Computer Chemistry ◽

10.1007/978-94-009-2599-1_16 ◽

1989 ◽

pp. 227-243 ◽

Cited By ~ 1

Author(s):

R. Fusco ◽

L. Caccianotti ◽

C. Tosi

Keyword(s):

Potential Energy ◽

Structural Description ◽

Energy Hypersurface ◽

Potential Energy Hypersurface

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Autodeductive Modeling and Optimization in Chemometrics

Proceedings of the First Donegani Scientific Workshop on Strategies for Computer Chemistry ◽

10.1007/978-94-009-2599-1_12 ◽

1989 ◽

pp. 161-177

Author(s):

Mario Marsili

Keyword(s):

Modeling And Optimization

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Proceedings of the First Donegani Scientific Workshop on Strategies for Computer ChemistryLatest Publications

TOTAL DOCUMENTS

H-INDEX

Published By Springer Netherlands

Ab Initio Configuration Interaction Study of Electronic and Geometric Structure of Alkali Metal Clusters

Theoretical Studies of the Energetics and Dynamics of the Aqueous and Ionic Environment about Proteins: Crystals of Streptomyces Griseus Protease A

Development of potential energy functions for use in conformational analysis

The Why’s of this Workshop

Round Table Discussion on The Organization of a Molecular Modeling Group in a Chemical Industry

Molecular Chain Flexibility and Phase Transitions in Polymers

Bond lengths in transition structures and intermediates of cycloaddition reactions

Welcome Address

Detection and Structural Description of the Deepest Minima in a Potential Energy Hypersurface

Autodeductive Modeling and Optimization in Chemometrics

Proceedings of the First Donegani Scientific Workshop on Strategies for Computer Chemistry
Latest Publications