دانلود Handbook of Computational Chemistry هندبوک شیمی محاسباتی Leszczynski

دانلود Handbook of Computational Chemistry هندبوک شیمی محاسباتی Leszczynski

هندبوک تخصصی و جامع شیمی محاسباتی Handbook of Computational Chemistry تالیف و نوشته Jerzy Leszczynski جریزی لسچینسکی از هندبوک های بسیار ارزشمند و مفید برای دانشجویان و اساتید شیمی محاسباتی می باشد که تمامی عناوین،مفاهیم و اصطلاحات شیمی محاسباتی را به طور دقیق و کامل همراه با شکل ها ، جداول و نمودارهای مربوط توضیح و شرح داده است.

مشخصات کتاب

• عنوان انگلیسی:  Handbook of Computational Chemistry
• عنوان فارسی : هندبوک شیمی محاسباتی
• فرمت فایل: PDF
• حجم فایل فشرده:  24.1 مگابایت
• ویرایش: 1
• سال انتشار: 2012
• شابک: 940070710X, 9789400707108
• زبان نوشتاری: انگلیسی
• نویسنده(ها):  Jerzy Leszczynski
• تعداد صفحات:  1405 صفحه
• تعداد فصل ها:  39 فصل

فهرست مطالب و عناوین فصل های کتاب

From Quantum Theory to Computational Chemistry. A Brief Account of Developments
The Position of the Clamped Nuclei Electronic Hamiltonian in Quantum Mechanics
Remarks on Wave Function Theory and Methods
Directions for Use of Density Functional Theory: A Short Instruction Manual for Chemists
Introduction to Response Theory
Intermolecular Interactions
Molecular Dynamics Simulation: From “Ab Initio” to “Coarse Grained”
Statistical Mechanics of Force-Induced Transitions of Biopolymers
Molecular Mechanics: Method and Applications
Molecular Structure and Vibrational Spectra
Molecular Electric, Magnetic, and Optical Properties
Weak Intermolecular Interactions: A Supermolecular Approach
Chemical Reactions: Thermochemical Calculations
Calculation of Excited States: Molecular Photophysics and Photochemistry on Display
Solvent Effects in Quantum Chemistry
Auxiliary Density Functional Theory: From Molecules to Nanostructures
Guide to Programs for Non-relativistic Quantum Chemistry Calculations
Functional Nanostructures and Nanocomposites – Numerical Modeling Approach and Experiment
Structures and Stability of Fullerenes, Metallofullerenes, and Their Derivatives
Structures and Electric Properties of Semiconductor clusters
Structures, Energetics, and Spectroscopic Fingerprints of Water Clusters n = 2–24
Fundamental Structural, Electronic, and Chemical Properties of Carbon Nanostructures: Graphene, Fullerenes, Carbon Nanotubes, and Their Derivatives
Optical Properties of Quantum Dot Nano-composite Materials Studied by Solid-State Theory Calculations
Modeling of Quasi-One-Dimensional Carbon Nanostructures with Density Functional Theory
Variation of the Surface to Bulk Contribution to Cluster Properties
Theoretical Studies of Structural and Electronic Properties of Clusters
Modeling of Nanostructures
Quantum Cluster Theory for the Polarizable Continuum Model (PCM)
Spin-Orbit Coupling in Enzymatic Reactions and the Role of Spin in Biochemistry
Protein Modeling
Applications of Computational Methods to Simulations of Proteins Dynamics
Molecular Dynamics and Advanced Sampling Simulations of Nucleic Acids
Model Systems for Dynamics of π-Conjugated Biomolecules in Excited States
Low-Energy Electron (LEE)-Induced DNA Damage: Theoretical Approaches to Modeling Experiment
Computational Modeling of DNA and RNA Fragments
Metal Interactions with Nucleobases, Base Pairs, and Oligomer Sequences; Computational Approach
Predictive QSAR Modeling: Methods and Applications in Drug Discovery and Chemical Risk Assessment
Quantitative Structure–Activity Relationships of Antimicrobial Compounds
Ab Initio Investigation of Photochemical Reaction Mechanisms: From Isolated Molecules to Complex Environments