Theoretical methods for the description of the solvent effect in biomolecular systems
The environment plays a key role in the determination of the properties and reactivity of
substances in condensed phases. The complexity of chemical phenomena in solution has …
substances in condensed phases. The complexity of chemical phenomena in solution has …
Modeling solvent in biomolecular systems
PE Smith, BM Pettitt - The Journal of physical chemistry, 1994 - ACS Publications
Currently applied models for the treatment of solvent in biomolecular systems are reviewed.
Solvent models ranging from purely continuum to quantum mechanical in nature are …
Solvent models ranging from purely continuum to quantum mechanical in nature are …
[图书][B] Solvation effects on molecules and biomolecules: computational methods and applications
S Canuto - 2010 - books.google.com
The incessant development of quantum chemistry since the appearance of the Schrodinger
̈ equation has turned this area into a respectable branch of science with unprecedented …
̈ equation has turned this area into a respectable branch of science with unprecedented …
Cosolvent interactions with biomolecules: Relating computer simulation data to experimental thermodynamic data
PE Smith - The Journal of Physical Chemistry B, 2004 - ACS Publications
A major difficulty often encountered when the effects of cosolvents on the structure of
biomolecules is studied by computer simulation is an inability to relate the simulation results …
biomolecules is studied by computer simulation is an inability to relate the simulation results …
[图书][B] Handbook of computational chemistry
J Leszczynski - 2012 - books.google.com
The role the Handbook of Computational Chemistry is threefold. It is primarily intended to be
used as a guide that navigates the user through the plethora of computational methods …
used as a guide that navigates the user through the plethora of computational methods …
[图书][B] Solvent effects and chemical reactivity
O Tapia, J Bertrán - 2006 - Springer
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 …
that are actively working in the theory and practical applications of solvent effects and …
Quantum mechanical continuum solvation models
J Tomasi, B Mennucci, R Cammi - Chemical reviews, 2005 - ACS Publications
This review on continuum solvation models has been preceded in Chemical Reviews by
others addressing the same subject. They are due to Tomasi and Persico1 (published in …
others addressing the same subject. They are due to Tomasi and Persico1 (published in …
Solvent structure and perturbations in solutions of chemical and biological importance
JL Finney, AK Soper - Chemical Society Reviews, 1994 - pubs.rsc.org
1 Background Many common chemical processes occur in liquid media, and the usual
medium is aqueous. Moreover, much of biology also takes place in an aqueous …
medium is aqueous. Moreover, much of biology also takes place in an aqueous …
[PDF][PDF] Physical chemistry with applications to biological systems
R Chang - 1977 - core.ac.uk
The difficulties of teaching physical principles to students of biological sciences are first their
abhorrence of even quite elementary mathematics and secondly that application to …
abhorrence of even quite elementary mathematics and secondly that application to …
Molecular interactions in solution: an overview of methods based on continuous distributions of the solvent
J Tomasi, M Persico - Chemical Reviews, 1994 - ACS Publications
I. An Overview of Different Approaches to Studying Chemistry in Solution This paper is a
report on the state of the art and on the perspectives of the theoretical treatments of solvent …
report on the state of the art and on the perspectives of the theoretical treatments of solvent …