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Combinatoria Molecular
Category :Combinatorial Chemistry  Language: clicks: 64
Combinatoria Molecular La Combinatoria Molecular es un conjunto de tecnologías dentro de las que se encuentran la Química y la Biología combinatoria, la Proteómica , la Genómica, las Bibliotecas Virtuales y los Métodos de t . . . . .
Chemistry Data Book
Category :Chemistry  Language: clicks: 76
This Data Book contains a selection of information and data which is relevant to the Chemistry Courses at York.
Chimie Inorganique
Category :Inorganic Chemistry   Language: clicks: 96
Contenu: Chapitre I : Principes généraux; Chapitre II : Eléments des blocs s et p; Chapitre III : Eléments du bloc d.
Introduction to Electronic Structure Methods
Category :Solid State Chemistry  Language: clicks: 97
Contents: Introduction to computational quantum chemistry; Basic Principles of quantum mechanics; Basis functions in quantum chemistry; An Introduction to Hartree Fock Theory; n Introduction to Config . . . . .
Electrochemistry
Category :Electrochemistry  Language: clicks: 106
Electrochemistry Electrochemistry has been undergoing significant transformations in the last few decades. It is now the province of academics interested only in measuring thermodynamic properties of solutions and of . . . . .
Nanotechnology in Catalysis
Category :Catalysis  Language: clicks: 108
Contents: Section I reviews the new concepts and applications of nanotechnology for catal- ysis. Chapter 1 provides an overview on how nanotechnology impacts catalyst prepa- ration with more control . . . . .
Basic Research Needs: Catalysis for Energy
Category :Catalysis  Language: clicks: 108
Basic Research Needs: Catalysis for Energy Contents:Grand Challenges in Catalysis as a Multidisciplinary Science and Technology; Advanced Catalysts for the Conversion of Heavy Fossil Energy Feedstocks; Advanced Catalysts for the Photo- and E . . . . .
Notes on Quantum Chemistry
Category :Quantum Chemistry  Language: clicks: 124
Notes on Quantum Chemistry Contents: A Brief Review of Elementary Quantum Chemistry; Computational Quantum Chemistry; An Introduction to Electronic Structure Theory; Atomic Term Symbols; Term Symbol Example; Elementary Linear . . . . .
Agricultural Chemistry
Category :Agricultural Chemistry  Language: clicks: 140
Agricultural Chemistry The present book is a collection of ten original research articles and reports, associated with selected topics in agricultural chemistry. The discussed issues are organized in four sections: Classifi . . . . .
A Statistical Mechanical Approach to Combinatorial Chemistry
Category :Computational Chemistry  Language: clicks: 155
An analogy between combinatorial chemistry and Monte Carlo computer simulation is pursued. Examples of how to design libraries for both materials discovery and protein molecular evolution are given. F . . . . .
High Performance Computing in Chemistry
Category :Computational Chemistry  Language: clicks: 165
High Performance Computing in Chemistry Contents: DFT Functionality in TURBOMOLE; QUI CKSTEP: Make the Atoms Dance; Local Electron Correlation Methods with Density Fitting in MOLPRO; Parallel DFT in TURBOMOLE, Linear Algebra; Continuous Fas . . . . .
Introduction to Electrochemistry
Category :Physical Chemistry  Language: clicks: 165
The object of this book is to provide an introduction to electrochemistry in its present state of development. An attempt has been made to explain the fundamentals of the subject as it stands today, . . . . .
Quantum Monte Carlo methods for the solution of the Schroedinger
Category :Computational Chemistry  Language: clicks: 170
This is a part of a book chapter soon to appear (2002) in the "Handbook for Numerical Analysis" volume dedicated to "Computational Chemistry" edited by Claude Le Bris. This review deals with some of t . . . . .
A mathematical introduction to Hartree-Fock SCF methods in Quantum Chemistry
Category :Quantum Chemistry  Language: clicks: 181
We present here an introduction to Hartree-Fock theory in Quantum Chemistry. From the molecular Hamiltonian, using and discussing the Born-Oppenheimer approximation, we arrive to the Hartree and . . . . .
Introduction to Solid State Chemistry
Category :Solid State Chemistry  Language: clicks: 189
Contents: ATOMIC AND ELECTRONIC STRUCTURE; CHEMICAL BONDING; BONDING IN METALS, SEMICONDUCTORS AND INSULATORS – BAND STRUCTURE; THE NATURE OF CRYSTALLINE SOLIDS; X-RAYS AND X-RAY DIFFRACTION; THE IMP . . . . .


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