Tous les ebooks de la collection "Challenges and Advances in Computational Chemistry and Physics" - Springer

Plasmonics: Theory and Applications

Tigran V. Shahbazyan , Mark I. Stockman

This contributed volume summarizes recent theoretical developments in plasmonics and its applications in physics, chemistry, materials science, engineering, and medicine. It focuses on recent advances in several major areas of plasmonics including plasmon-enhanced...

Optical Spectroscopy and Computational Methods in Biology and Medicine

Malgorzata Baranska

This multi-author contributed volume gives a comprehensive overview of recent progress in various vibrational spectroscopic techniques and chemometric methods and their applications in chemistry, biology and medicine. In order to meet the needs of readers, the book...

Linear-Scaling Techniques in Computational Chemistry and Physics

Jerzy Leszczynski , Paul G. Mezey , Manthos G. Papadopoulos , Robert Zalesny

"Linear-Scaling Techniques in Computational Chemistry and Physics" summarizes recent progresses in linear-scaling techniques and their applications in chemistry and physics. In order to meet the needs of a broad community of chemists and physicists, the book focuses on...

Kinetics and Dynamics

Agnieszka Dybala-Defratyka , Piotr Paneth

"Kinetics and Dynamics" on molecular modeling of dynamic processes opens with an introductory overview before discussing approaches to reactivity of small systems in the gas phase. Then it examines studies of systems of increasing complexity up to the dynamics of...

Recent Progress in Coupled Cluster Methods

Petr Cársky , Josef Paldus , Jirí Pittner

I feel very honored thatI have been asked to write a Foreword to this book. The subject of the book – “Coupled cluster theory” – has been around for about half a century. The basic theory and explicit equations for closed-shell ground states were formulated before 1970....

Solvation Effects on Molecules and Biomolecules

Sylvio Canuto

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 capabilities. It is now a well-recognized eld of research with pred- tive power that is an...

Relativistic Methods for Chemists

Maria Barysz , Yasuyuki Ishikawa

“Relativistic Methods for Chemists”, written by a highly qualified team of authors, is targeted at both experimentalists and theoreticians interested in the area of relativistic effects in atomic and molecular systems and processes and in their consequences for the...

Trends in Computational Nanomechanics

Traian Dumitrica

Trends in Computational Nanomechanics reviews recent advances in analytical and computational modeling frameworks to describe the mechanics of materials on scales ranging from the atomistic, through the microstructure or transitional, and up to the continuum. The book...

Recent Advances in QSAR Studies

Mark T. Cronin , Jerzy Leszczynski , Tomasz Puzyn

Molecular Materials with Specific Interactions - Modeling and Design

W. Andrzej Sokalski

"Molecular Materials with Specific Interactions: Modeling and Design" has a very interdisciplinary character and is intended to provide basic information as well as the details of theory and examples of its application to experimentalists and theoreticians interested in...

Non-Linear Optical Properties of Matter

Jerzy Leszczynski , Manthos G. Papadopoulos , Andrzej J. Sadlej

Non-Linear Optical Properties of Matter: From Molecules to Condensed Phases attempts to draw together both theory and application in this field. As such it will be of interest to both experimentalists and theoreticians alike. Divided into two parts, Part 1 is concerned...

Hydrogen Bonding - New Insights

Slawomir Grabowski

Hydrogen Bonding – New Insights is an extensive text which takes numerous examples from experimental studies and uses these to illustrate theoretical investigations to allow a greater understanding of hydrogen bonding phenomenon. The most important topics in recent...