1.

Record Nr.

UNINA9910454944003321

Titolo

Solvent effects and chemical reactivity [[electronic resource] /] / edited by Orlando Tapia and Juan Bertrán

Pubbl/distr/stampa

Dordrecht ; ; Boston, : Kluwer Academic Publishers, c1996

ISBN

1-280-20541-5

9786610205417

0-306-46931-6

Edizione

[1st ed. 2002.]

Descrizione fisica

1 online resource (390 p.)

Collana

Understanding chemical reactivity ; ; v. 17

Altri autori (Persone)

TapiaOrlando <1938->

BertránJ <1931-> (Juan)

Disciplina

541.3/4

Soggetti

Reactivity (Chemistry)

Solution (Chemistry)

Solvation

Solvents

Electronic books.

Lingua di pubblicazione

Inglese

Formato

Materiale a stampa

Livello bibliografico

Monografia

Note generali

Description based upon print version of record.

Nota di bibliografia

Includes bibliographical references and index.

Nota di contenuto

Continuum Solvation Models -- Theoretical Basis for the Treatment of Solvent Effects in the Context of Density Functional Theory -- Monte Carlo Simulations of Chemical Reactions in Solution -- Computer Simulation for Chemical Systems: from Vacuum to Solution -- Crossing the Transition State in Solution -- Valence Bond Multistate Approach to Chemical Reactions in Solution -- Quantum Theory of Solvent Effects and Chemical Reactions.

Sommario/riassunto

This book gathers original contributions from a selected group of distinguished researchers that are actively working in the theory and practical applications of solvent effects and chemical reactions. The importance of getting a good understanding of surrounding media effects on chemical reacting system is difficult to overestimate. Applications go from condensed phase chemistry, biochemical reactions in vitro to biological systems in vivo. Catalysis is a phenomenon produced by a particular system interacting with the reacting subsystem. The result may be an increment of the chemical



rate or sometimes a decreased one. At the bottom, catalytic sources can be characterized as a special kind of surrounding medium effect. The materials involving in catalysis may range from inorganic components as in zeolites, homogenous components, enzymes, catalytic antibodies, and ceramic materials. . With the enormous progress achieved by computing technology, an increasing number of models and phenomenological approaches are being used to describe the effects of a given surrounding medium on the electronic properties of selected subsystem. A number of quantum chemical methods and programs, currently applied to calculate in vacuum systems, have been supplemented with a variety of model representations. With the increasing number of methodologies applied to this important field, it is becoming more and more difficult for non-specialist to cope with theoretical developments and extended applications. For this and other reasons, it is was deemed timely to produce a book where methodology and applications were analyzed and reviewed by leading experts in the field.

2.

Record Nr.

UNINA9910796258503321

Autore

Gazier A (Augustin), <1844-1922, >

Titolo

Histoire générale du mouvement janséniste depuis ses origines jusqu'à nos jours . Tome I / / Augustin Gazier

Pubbl/distr/stampa

[Place of publication not identified] : , : Ligaran, , [2015]

©2015

ISBN

2-335-03844-3

Descrizione fisica

1 online resource (343 p.)

Disciplina

273.7

Soggetti

Jansenists

Lingua di pubblicazione

Francese

Formato

Materiale a stampa

Livello bibliografico

Monografia

Note generali

Description based upon print version of record.

Nota di contenuto

Couverture; Page de Copyright; Page de titre; Avant-propos; Chapitre premier; Chapitre II; Chapitre III; Chapitre IV; Chapitre V; Chapitre VI; Chapitre VII; Chapitre VIII; Chapitre IX; Chapitre X; Chapitre XI; Chapitre XII; Chapitre XIII; Chapitre XIV; Chapitre XV; Chapitre XVI; Chapitre XVII



Sommario/riassunto

Extrait : ""Si l'on demandait à un enfant de nos catéchismes de persévérance ce qu'est le jansénisme, il ne manquerait pas de répondre que c'est une hérésie moderne, la plus artificielle peut-être de toutes les hérésies, - comme le dit R. P. Loriquet, - et qu'il fut introduit vers le milieu du XVIIe siècle, par un évêque flamand appelé Janssen, en latin Jansenius.""