Practical Aspects of Computational Chemistry I

An Overview of the Last Two Decades and Current Trends

Nonfiction, Science & Nature, Science, Chemistry, Physical & Theoretical, Physics, Mathematical Physics
Cover of the book Practical Aspects of Computational Chemistry I by , Springer Netherlands
View on Amazon View on AbeBooks View on Kobo View on B.Depository View on eBay View on Walmart
Author: ISBN: 9789400709195
Publisher: Springer Netherlands Publication: January 2, 2012
Imprint: Springer Language: English
Author:
ISBN: 9789400709195
Publisher: Springer Netherlands
Publication: January 2, 2012
Imprint: Springer
Language: English

Practical Aspects of Computational Chemistry I: An Overview of the Last Two Decades and Current Trends gathers the advances made within the last 20 years by well-known experts in the area of theoretical and computational chemistry and physics. The title itself reflects the celebration of the twentieth anniversary of the “Conference on Current Trends in Computational Chemistry (CCTCC)” to which all authors have participated and contributed to its success.

This volume poses (and answers) important questions of interest to the computational chemistry community and beyond. What is the historical background of the “Structural Chemistry”? Is there any way to avoid the problem of intruder state in the multi-reference formulation? What is the recent progress on multi-reference coupled cluster theory? Starting with a historical account of structural chemistry, the book focuses on the recent advances made in promising theories such as many body Brillouin-Wigner theory, multireference state-specific coupled cluster theory, relativistic effect in chemistry, linear and nonlinear optical properties of molecules, solution to Kohn-Sham problem, electronic structure of solid state materials, development of model core potential, quantum Monte Carlo method, nano and molecular electronics, dynamics of photodimerization and excited states, intermolecular interactions, hydrogen bonding and non-hydrogen bonding interactions, conformational flexibility, metal cations in zeolite catalyst and interaction of nucleic acid bases with minerals.

Practical Aspects of Computational Chemistry I: An Overview of the Last Two Decades and Current Trends is aimed at theoretical and computational chemists, physical chemists, materials scientists, and particularly those who are eager to apply computational chemistry methods to problem of chemical and physical importance. This book will provide valuable information to undergraduate, graduate, and PhD students as well as to established researchers.

View on Amazon View on AbeBooks View on Kobo View on B.Depository View on eBay View on Walmart

Practical Aspects of Computational Chemistry I: An Overview of the Last Two Decades and Current Trends gathers the advances made within the last 20 years by well-known experts in the area of theoretical and computational chemistry and physics. The title itself reflects the celebration of the twentieth anniversary of the “Conference on Current Trends in Computational Chemistry (CCTCC)” to which all authors have participated and contributed to its success.

This volume poses (and answers) important questions of interest to the computational chemistry community and beyond. What is the historical background of the “Structural Chemistry”? Is there any way to avoid the problem of intruder state in the multi-reference formulation? What is the recent progress on multi-reference coupled cluster theory? Starting with a historical account of structural chemistry, the book focuses on the recent advances made in promising theories such as many body Brillouin-Wigner theory, multireference state-specific coupled cluster theory, relativistic effect in chemistry, linear and nonlinear optical properties of molecules, solution to Kohn-Sham problem, electronic structure of solid state materials, development of model core potential, quantum Monte Carlo method, nano and molecular electronics, dynamics of photodimerization and excited states, intermolecular interactions, hydrogen bonding and non-hydrogen bonding interactions, conformational flexibility, metal cations in zeolite catalyst and interaction of nucleic acid bases with minerals.

Practical Aspects of Computational Chemistry I: An Overview of the Last Two Decades and Current Trends is aimed at theoretical and computational chemists, physical chemists, materials scientists, and particularly those who are eager to apply computational chemistry methods to problem of chemical and physical importance. This book will provide valuable information to undergraduate, graduate, and PhD students as well as to established researchers.

More books from Springer Netherlands

Cover of the book Site-directed insertion of transgenes by
Cover of the book The Life of John Lothrop Motley by
Cover of the book Lattice Quantum Chromodynamics by
Cover of the book Rangeland Desertification by
Cover of the book Protecting Danube River Basin Resources by
Cover of the book The Earth's Magnetic Interior by
Cover of the book Man-Made and Natural Radioactivity in Environmental Pollution and Radiochronology by
Cover of the book Conducting Educational Needs Assessments by
Cover of the book Mechanisms of Polymer Degradation and Stabilisation by
Cover of the book Topics and Trends in Current Science Education by
Cover of the book Religion, Spirituality and Everyday Practice by
Cover of the book Mechanisms of Carcinogenesis by
Cover of the book Gravity, a Geometrical Course by
Cover of the book Anesthesia and the Central Nervous System by
Cover of the book Crop Production for Agricultural Improvement by
We use our own "cookies" and third party cookies to improve services and to see statistical information. By using this website, you agree to our Privacy Policy