theoretical and computational chemistry

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Cold Chemistry ― Molecular Scattering and Reactivity Near Absolute Zero

作者：Olivier Dulieu (EDT); Francois Lique (CON); Andreas Osterwalder (EDT); Stefan Willitsch (CON); Jonathan Hirst (EDT) 出版社：Royal Society of Chemistry 出版日：2017/12/13 裝訂：精裝

Recent years have seen tremendous progress in research on cold and controlled molecular collisions, both in theory and in experiment. The advent of techniques to prepare cold and ultracold molecules a

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Self-organized Motion ― Physicochemical Design Based on Nonlinear Dynamics

作者：Satoshi Nakata (EDT); V廨onique Pimienta (EDT); Istv嫕 Lagzi (EDT); Hiroyuki Kitahata (EDT); Nobuhiko J. Suematsu (EDT) 出版社：Royal Society of Chemistry 出版日：2018/11/06 裝訂：精裝

Self-propelled objects (particles, droplets) are autonomous agents that can convert energy from the environment into motion. These motions include nonlinear behaviour such as oscillations, synchroniza

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Relativistic Electronic Structure Theory ― Applications

作者：Peter Schwerdtfeger (EDT) 出版社：Elsevier Science Serials 出版日：2004/03/05 裝訂：精裝

The field of relativistic electronic structure theory is generally not part of theoretical chemistry education, and is therefore not covered in most quantum chemistry textbooks. This is due to the fac

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Energetic Materials ― Detonation, Combustion

作者：Peter Politzer (EDT); Jane S. Murray (EDT) 出版社：Elsevier Science Serials 出版日：2003/11/21 裝訂：精裝

This volume provides an overview of current research and recent advances in the area of energetic materials, focusing on explosives and propellants. The contents and format reflect the fact that theo

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Computational Photochemistry

作者：M. Olivucci (EDT) 出版社：Elsevier Science Ltd 出版日：2005/12/13 裝訂：精裝

Computational Photochemistry, Volume 16 provides an overview of general strategies currently used to investigate photochemical processes. Whilst contributing to establishing a branch of computational

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The Crystalline States of Organic Compounds

作者：Angelo (Formerly Professor of Physical Chemistry Gavezzotti Universita degli Studi di Milano Italy) 出版社：Elsevier Science Publishing Co Inc 出版日：2021/07/01 裝訂：平裝

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Properties and Functionalization of Graphene：A Computational Chemistry Approach

作者：Tandabany; Dinadayalane (Associate Professor; Clark Atlanta University; Atlanta; Georgia; USA); Hagelberg; Frank (Professor of Physics; East Tennessee State University; Johnson City; Tennessee; USA) 出版社：Elsevier Science Publishing Co Inc 出版日：2021/09/01 裝訂：平裝

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Molecular Modeling of the Sensitivities of Energetic Materials

作者：Mathieu; Didier (French Alternative Energies and Atomic Energy Commission (CEA); Le Ripault; France) 出版社：Elsevier Science Publishing Co Inc 出版日：2021/09/01 裝訂：平裝

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Single-Ion Solvation ─ Experimental and Theoretical Approaches to Elusive Thermodynamic Quantities

作者：Philippe Hunenberger; Maria Reif 出版社：Royal Society of Chemistry 出版日：2011/04/14 裝訂：精裝

Ions are ubiquitous in chemical, technological, ecological and biological processes. Characterizing their role in these processes in the first place requires the evaluation of the thermodynamic parame

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10.

Computational Quantum Chemistry ― Molecular Structure and Properties in Silico

作者：Joseph J. W. Mcdouall; Jonathan Hirst (EDT); Carmay Lim (EDT); Kenneth D. Jordan (EDT); Walter Thiel (EDT) 出版社：Royal Society of Chemistry 出版日：2013/06/03 裝訂：精裝

Metabolomics is an emerging field and this is the first book to present chromatographic techniques in metabolomics in a fundamental way. Sample preparation and quality control are crucial aspects whic

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11.

Reaction Rate Constant Computations ― Theories and Applications

作者：Keli Han (EDT); Tianshu Chu (EDT) 出版社：Royal Society of Chemistry 出版日：2013/10/18 裝訂：精裝

The reaction rate constant plays an essential role a wide range of processes in biology, chemistry and physics. Calculating the reaction rate constant provides considerable understanding to a reaction

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12.

Theory of Molecular Collisions

作者：Gabriel G. Balint-kurti; Alexander P. Palov; Jonathan Hirst (EDT) 出版社：Royal Society of Chemistry 出版日：2015/07/16 裝訂：精裝

Almost 100 years have passed since Trautz and Lewis put forward their theories on collision theory. Today, knowledge of molecular collisions is a key part of predicting and understanding chemical reac

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13.

Magnetic Interactions in Molecules and Solids

作者：Coen De Graaf; Ria Broer 出版社：Springer Verlag 出版日：2015/09/24 裝訂：精裝

This is the latest title in the Theoretical Chemistry and Computational Modeling series that was specifically developed to support the European Masters Course on Theoretical Chemistry and Computationa

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14.

Chemical Reactions ― Basic Theory and Computing

作者：Lagan? Antonio (EDT); Gregory Parker (EDT) 出版社：Springer Verlag 出版日：2018/01/29 裝訂：精裝

This graduate textbook, written by experienced lecturers, features the study and computation of efficient reactive processes. The text begins with the problem of determining the chemical reaction prop

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15.

Photochemistry ― A Modern Theoretical Perspective

作者：Maurizio Persico; Giovanni Granucci 出版社：Springer Verlag 出版日：2018/07/05 裝訂：精裝

This book offers an introduction to photochemistry for students with a minimal background in physical chemistry and molecular quantum mechanics. The focus is from a theoretical perspective and highlig

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