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200本计算量子化学书籍 96节课[分享]

2019-03-17  理想的湾

绝对的量子计算化学科研神器,无论是入门学习还是细分方向的深入研究,你都能从中找到合适的工具书,量子化学起源、理论分析、金属、无机、有机、催化、生物、高分子、生物、药物设计等计算专业书,应有尽有。

后台回复“313”免费获取电子书合集

Introduction to Computational Chemistry

Modern Quantum Chemistry  Introduction to Advanced Electronic Structure Theory

Quantum Chemistry  An Introduction

Neither physics nor chemistry  a history of quantum chemistry

Organic Stereochemistry Experimental and Computational Methods

Computational Chemistry and Molecular Modeling Principles and Applications

Quantum Computational Chemistry Modelling and Calculation for Functional Materials

Quantum Nanochemistry, Volume Four  Quantum Solids and Orderability

The Quantum Theory Atoms in Molecules - From Solid State to DNA and Drug Design 

Understanding Organometallic Reaction Mechanisms and Catalysis Computational and Experimental Tools

Comprehensive Handbook of Chemical Bond Energies

Chemical Reactivity Theory A Density Functional View

Computational Organic Chemistry

Computational Quantum Chemistry II - The Group Theory Calculator

Computational Quantum Mechanics for Materials Engineers

Computational Studies Nanotechnology and Solution Thermodynamics of Polymer Systems

Density Functional Theory in Quantum Chemistry

Essentials of Computational Chemistry Theories and Models

Frontiers of Quantum Chemistry

Fundamentals of Quantum Chemistry Molecular Spectroscopy and Modern Electronic Structure Computations

High Performance Computing in Chemistry

《量子化学基础教程》

《量子化学理论基础》

Quantum Chemistry (Fifth Ed.) Ira N. Levine Prentice Hall, Inc. 2000

Handbook Of Computational Quantum Chemistry

Computational Chemistry Using the PC

Computational Chemistry:Reviews of Current Trends

A New Dimension to Quantum Chemistry_ Analytic Derivative Methods in Ab Initio Molecular Electronic Structure Theory

A introduction to Quantum Chemistry

Computational Modeling of Homogeneous Catalysis

Chemical Bonding at Surfaces and Interfaces

An Introduction to Computational Biochemistry

Ab Initio Organic Chemistry A survey of ground and excited states and aromaticity

Ab initio study of interface states at metal contacts to III-IV semiconductors

Ab initio study of the work functions of elemental metal crystals

Accurate Condensed-Phase Quantum Chemistry (Computation in Chemistry)

Advanced Computer Simulation_ Approaches for Soft Matter Sciences I

Advanced_Particle_Physics_Volume_I_Particles,_Fields,_and_Quantum_Electrodynamics

Computational Chemistry of Solid State Materials_ A Guide for Materials Scientists, Chemists, Physicists and others

Advanced_Particle_Physics_Volume_II_The_Standard_Model_and_Beyond

Annual Reports in Computational Chemistry

Atomistic Approaches in Modern Biology_ From Quantum Chemistry to Molecular Simulations

Chemical bonding and molecular geometry

Chemical Engineering Dynamics_ An Introduction to Modelling and Computer Simulation

Computational Chemistry A  Practical Guide for Applying Techniques to Real-World Problems

Computational Materials Chemistry Methods and Applications

Computational Methods in Photochemistry

Computational Methods in Surface and Colloid Science

Computational Organometallic Chemistry

Computational Quantum Chemistry_ An Interactive Introduction to Basis Set Theory

Ideas of Quantum Chemistry

Computational Many-Particle Physics

Computer Simulations of Liquid Crystals and Polymers

Computing Methods in Quantum Organic Chemistry

Conceptual and Computational DFT in the Study of Aromaticity

Electron correlation in molecules -- ab initio beyond Gaussian quantum chemistry

Electronic Structure basic theory and practical methods_Richard.Martin

Electronic Structure of Matter – Wave Functions and Density Functionals

Electronic Structure Calculations for Solids and Molecules Theory and Computational Methods

Elements of Quantum Chemistry

Encyclopedia of computational chemistry

Experimental Quantum Chemistry

Explorer Chemistry with Electronic Structure Method

Frontiers in Computational Chemistry_ Volume 1_ Computer Applications for Drug Design and Biomolecular Systems

Hightly accurate Calculations of Electronic structure

Computational Studies in Organometallic Chemistry

Introduction to quantum mechanics  with applications to chemistry

Introduction to Quantum Mechanics_ in Chemistry, Materials Science, and Biology

Introduction to Relativistic Quantum Chemistry

Introductory quantum chemistry

Localization and Delocalization in Quantum Chemistry_ Volume I Atoms and Molecules in the Ground State

Mathematical Challenges from Theoretical-Computational Chemistry

Metal Surface Electron Physics

Modern Methods and Algorithms of Quantum Chemistry - Moecular Dynamics Theory

Molecular Modelling Principles And Applications

Monte Carlo Methods In Ab Initio Quantum Chemistry

Multi-scale quantum models for biocatalysis_ modern techniques and applications

Organic Quantum Chemistry Problems

Parallel Computing in Quantum Chemistry

Modem Modelling of the Chemical Bond (Theoretical and Computational Chemistry ) 

Principles and Applications of Quantum Chemistry

Quantum Chemistry The Challenge of Transition Metals and Coordination Chemistry

Principles of Quantum Mechanics_ As Applied to Chemistry and Chemical Physics

Problems and Solutions in Quantum Chemistry and Physics 

Quantum Chemical Models(诺奖得主Pople报告)

Quantum Chemistry and Reaction

Quantum chemistry and spectroscopy

Quantum Chemistry Lecture Notes

Quantum Chemistry of Organic Compounds_ Mechanisms of Reactions

Quantum chemistry of solids_ the LCAO first principles treatment of crystals

Quantum Chemistry. An Introduction

Quantum Chemistry_ Fundamentals to Applications

Quantum chemistry_ Methods and applications

Quantum Chemistry_ The Development of Ab Initio Methods in Molecular Electronic Structure Theory

Quantum dynamics in low-temperature chemistry

Quantum Mechanics In chemistry

Quantum Medicinal Chemistry

Reviews in Computational Chemistry

Solvation Effects on Molecules and Biomolecules_ Computational Methods and Applications (Challenges and Advances in Computational Chemistry and Physics)

Strategies and Applications in Quantum Chemistry

The Meaning of Quantum Theory_ A Guide for Students of Chemistry and Physics

The Quantum in Chemistry  An Experimentalist's View

Theoretical and Computational Inorganic Chemistry

Varitional principles and methods in the theoretical physics and chemistry

【课程】中科院计算量子化学视频教程-27讲

【课程】南开大学计算量子化学视频教程-44讲

【课程】计算化学及其应用-25讲

《大分子体系的量子化学》

《半导体中得键和能带》

《对称性、轨道和光谱》

《对称性原理(一) 对称图象的群论原理》

《对称性原理(二) 有限对称群的表象及其群论原理》

《多面体分子轨道》

《分子反应动力学》

《分子反应动力学基础》

《分子反应动态学》

《分子光谱理论》

《分子振动和振动光谱》

《图解量子化学》

《固体量子化学》

《宏观反应动力学及其解析方法》

《化学反应动力学》

《化学反应对称规则 轨道拓扑学和基元过程》

《化学键的本质》

《现代分子结构研究方法》

《基础量子化学原理》

《计算化学——从理论到分子模拟》

《计算量子化学讲义》

《赖文(I.N.Levine)-量子化学》

《镧系化合物电子结构计算》

《理论化学原理与应用》

《量化重要文献汇集》

《量化砖头——量子计算必须读懂的资料- 单斌》

《量子化学 基本原理和从头计算法 上、中、下册》

《量子化学-基本原理和从头计算法 题解》

《量子化学 唐敖庆》

《量子化学 基本原理和从头计算法》

《量子化学从头计算方法》

《量子化学-分子的电子结构理论中从头算方法的进展》

《量子化学基础及其应用》

《量子化学基础》

《量子化学计算方法与应用》

《量子化学原理》

《量子化学中的群论方法》

《没有化学键的分子(“化学拓扑论”概要)》

《群论及其在分子结构中的应用》

《现代分子结构研究方法》

《应用量子化学》

《原子簇的结构规则和化学键》

《周公度-结构化学基础(第二版)》

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