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HOME > BROWSE BY SUBJECTS > CHEMISTRY > COMPUTATIONAL CHEMISTRY
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- Adsorption Science and Technology
Proceedings of the Third Pacific Basin Conference
- Advanced Mathematics for Engineering and Science
 
- Advances in Multi-Photon Processes and Spectroscopy
(Volume 8)
- Advances in Multi-Photon Processes and Spectroscopy
(Volume 11)
- Advances in Multi-Photon Processes and Spectroscopy
(Volume 20)
- Alzheimer's Disease: Insights into Low Molecular Weight and Cytotoxic Aggregates From In Vitro and Computer Experiments
Molecular Basis of Amyloid-Beta Protein Aggregation and Fibril Formation
- Applied Quantum Mechanics
- Atoms, Molecules and Clusters in Electric Fields
Theoretical Approaches to the Calculation of Electric Polarizability
- Beauty of Mathematics in Science, The
The Intellectual Path of J Q Chen
- Bell That Rings Light, The
A Primer in Quantum Mechanics and Chemical Bonding
- Beyond Nonstructural Quantitative Analysis
Blown-Ups, Spinning Currents and Modern Science
- Bioanalytical Chemistry
- Biocomputing 2002
Proceedings of the Pacific Symposium
- Biodata Mining and Visualization
Novel Approaches
- Charge Sensitivity Approach to Electronic Structure and Chemical Reactivity
- Chemical Dynamics in Extreme Environments
- Classical and Quantum Electrodynamics and the B(3) Field
- Collisional Line Broadening and Shifting of Atmospheric Gases
A Practical Guide for Line Shape Modelling by Current Semiclassical Approaches
- Combinatorial Development of Solid Catalytic Materials
Design of High-Throughput Experiments, Data Analysis, Data Mining
- Computational Chemistry: Reviews of Current Trends
(Volume 1)
- Computational Chemistry: Reviews of Current Trends
(Volume 2)
- Computational Chemistry: Reviews of Current Trends
(Volume 3)
- Computational Chemistry: Reviews of Current Trends
(Volume 4)
- Computational Chemistry: Reviews of Current Trends
(Volume 5)
- Computational Chemistry: Reviews of Current Trends
(Volume 6)
- Computational Chemistry: Reviews of Current Trends
(Volume 7)
- Computational Chemistry: Reviews of Current Trends
(Volume 8)
- Computational Chemistry: Reviews of Current Trends
(Volume 9)
- Computational Chemistry: Reviews of Current Trends
(Volume 10)
- Computational Methods in Sciences and Engineering 2003
Proceedings of the International Conference (ICCMSE 2003)
- Computational Structural Biology
Methods and Applications
- Condensed Matter Theories
Volume 25
Proceedings of the 33rd International Workshop
- Conical Intersections
Electronic Structure, Dynamics and Spectroscopy
- Conical Intersections
Theory, Computation and Experiment
- Density Matrix Method and Femtosecond Processes
- Diamondoid Molecules
With Applications in Biomedicine, Materials Science, Nanotechnology & Petroleum Science
- Dielectric Relaxation and Dynamics of Polar Molecules
- Douglas Rayner Hartree
His Life in Science and Computing
- Dynamical Symmetry
- Dynamics of Patterns, The
- Electromagnetic Origin of Quantum Theory and Light, The
Second Edition
- Electron Dynamics in Molecular Interactions
- Electronic and Nuclear Dynamics in Molecular Systems
- Electronic Conference on Heterocyclic Chemistry, The
ECHET '98
(CD-ROM Only)
- Electronic Structure and Chemical Bonding
- Elementary Physical Chemistry
- Femtochemistry and Femtobiology
Ultrafast Dynamics in Molecular Science
With Foreword by Prof A H Zewail, Nobel Laureate in Chemistry, 1999
- Field Theory, the Renormalization Group, and Critical Phenomena
Graphs to Computers
Third Edition
- Free Energy Computations
A Mathematical Perspective
- Frontier Orbitals and Reaction Paths
Selected Papers of Kenichi Fukui
- Fundamentals of Equations of State
- Gold Catalysis
An Homogeneous Approach
- Handbook of Porphyrin Sciencee
With Applications to Chemistry, Physics, Materials Science, Engineering, Biology and Medicine
(Volume 1–5)
- Handbook of Porphyrin Science
With Applications to Chemistry, Physics, Materials Science, Engineering, Biology and Medicine
(Volume 6–10)
- Handbook of Porphyrin Science
With Applications to Chemistry, Physics, Materials Science, Engineering, Biology and Medicine
(Volume 11–15)
- Handbook of Porphyrin Science
With Applications to Chemistry, Physics, Materials Science, Engineering, Biology and Medicine
(Volume 16–20)
- Heats of Hydrogenation
Experimental and Computational Hydrogen Thermochemistry of Organic Compounds
- How Surfaces Intersect in Space
An Introduction to Topology
- Hydrothermal Reactions and Techniques
Proceedings of the Seventh International Symposium on Hydrothermal Reactions
- Introduction to Dynamic Spin Chemistry
Magnetic Field Effects on Chemical and Biochemical Reactions
- Introduction to Quantum Statistical Mechanics
(2nd Edition)
- Introduction to Statistical Mechanics
- Introduction to the Quantum World of Atoms and Molecules
- Langevin Equation, The
With Applications to Stochastic Problems in Physics, Chemistry and Electrical Engineering
(Second Edition)
- Latest Advances in Atomic Cluster Collisions
Fission, Fusion, Electron, Ion and Photon Impact
- Latest Advances in Atomic Cluster Collisions
Structure and Dynamics from the Nuclear to the Biological Scale
- Lithium-Ion Batteries
Solid-Electrolyte Interphase
- Machine Learning Approaches to Bioinformatics
- Many-Body Theory of Molecules, Clusters, and Condensed Phases
- Markov Chain Monte Carlo Simulations and Their Statistical Analysis
With Web-Based Fortran Code
- Modeling by Nonlinear Differential Equations
Dissipative and Conservative Processes
- Modern Many-Particle Physics
Atomic Gases, Quantum Dots and Quantum Fluids
- Modern Methods for Multidimensional Dynamics Computations in Chemistry
- Modern Studies of Basic Quantum Concepts and Phenomena
Proceedings of Nobel Symposium 104
- Molecular Complexes in Earth's, Planetary, Cometary, and Interstellar Atmospheres
- Monte Carlo Methods in Ab Initio Quantum Chemistry
- Molecular Electronics
An Introduction to Theory and Experiment
- Noisy Pendulum, The
- Numerical Solution of the Schrödinger Equation
Numerical Methods for Problems with Periodic or Oscillating Solution
- Overviews of Recent Research on Energetic Materials
- Practical Guide to Computer Simulations
(With CD-ROM)
- Principles and Applications of Positron and Positronium Chemistry
- Principles of Newtonian and Quantum Mechanics, The
The Need for Planck's Constant, h
- Probability and Schrödinger's Mechanics
- Problems in Chemical Thermodynamics, With Solutions
- Proceedings of the Dalgarno Celebratory Symposium
Contributions to Atomic, Molecular, and Optical Physics, Astrophysics, and Atmospheric Physics
- Progress in Experimental and Theoretical Studies of Clusters
- Properties of Perovskites and Other Oxides
- Pushing the Frontiers of Atomic Physics
Proceedings of the XXI International Conference on Atomic Physics
- Quantum Aspects of Life
- Quantum Chemistry
A Unified Approach
- Quantum Chemistry
A Unified Approach
(2nd Edition)
- Quantum Chemistry
Classic Scientific Papers
- Quantum Chemistry Aided Design of Organic Polymers
An Introduction to the Quantum Chemistry of Polymers and Its Applications
- Quantum Gases
Finite Temperature and Non-Equilibrium Dynamics
- Quantum Theory of Tunneling
- Recent Advances in Computational Chemistry Software
- Recent Advances in Computational Science and Engineering
Proceedings of the International Conference on Scientific and Engineering Computation (IC-SEC) 2002
- Recent Advances in Coupled-Cluster Methods
- Recent Advances in Density Functional Methods
(Part I)
- Recent Advances in Density Functional Methods
(Part II)
- Recent Advances in Density Functional Methods
(Part III)
- Recent Advances in Multireference Methods
- Recent Advances in Quantum Monte Carlo Methods
- Recent Advances in Quantum Monte Carlo Methods Part II
- Recent Advances in Relativistic Molecular Theory
- Reviews of Modern Quantum Chemistry
A Celebration of the Contributions of Robert G Parr
(In 2 Volumes)
- Scale-Isometric Polytopal Graphs in Hypercubes and Cubic Lattices
Polytopes in Hypercubes and Zn
- Selected Papers of J Robert Schrieffer
In Celebration of His 70th Birthday
- Serious Glance at Chemistry, A
Basic Notions Explained
- Solving the Schrödinger Equation
Has Everything Been Tried?
- Spectroscopy, Dynamics and Molecular Theory of Carbon Plasmas and Vapors
Advances in the Understanding of the Most Complex High-Temperature Elemental System
- Stochastic Processes in Magnetic Resonance
- Support Vector Machine in Chemistry
- Symmetry and Perturbation Theory
SPT 2001
Proceedings of the International Conference
- Symmetry and Perturbation Theory
Proceedings of the International Conference on SPT2007
- Symmetry-Adapted Basis Sets
Automatic Generation for Problems in Chemistry and Physics
- Theory and Application of Quantum Molecular Dynamics
- Towards a Nonlinear Quantum Physics
- Transformational Science and Technology for the Current and Future Force
(With CD-ROM)
Proceedings of the 24th US Army Science Conference
- Understanding Soft Condensed Matter Via Modeling and Computation
- Universality and Diversity in Science
Festschrift in Honor of Naseem K Rahman's 60th Birthday
- Vibration-Rotational Spectroscopy and Molecular Dynamics
Advances in Quantum Chemical and Spectroscopical Studies of Molecular Structures and Dynamics
- Water in Biology, Chemistry and Physics
Experimental Overviews and Computational Methodologies
- What is Life?
Scientific Approaches and Philosophical Positions
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