
Chimica Computazionale
Author:
Prof. Natale Neto
Language:
Contenuto: 1 Cenni sulle matrici; 2 Coordinate e vettori; 3 Matrice metrica; 4 Coordinate molecolari; 5 Tensori; 6 Algebra tensoriale;
7 Equazioni del moto; 8 Dinamica molecolare; 9 Dinamica di corp . . . . . 
High Performance Computing in Chemistry
Author:
edited by Johannes Grotendorst
Language:
 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 . . . . . 

Lecture Notes in Computational Chemistry: Electronic Structure Theory
Author:
Jurg Hutter
Language:
Contents: Basic Quantum Mechanics; Basic Mathematical Review; Molecular Hamiltonian; TwoElectron Systems and Spin; Hartree{Fock Approximation; Molecular Orbital Theory; Correlation Energy; Coupled Cl . . . . . 
Lecture notes on evaluation of molecular integrals
Author:
Justin T. Fermann and Edward F. Valeev
Language:
Lecture notes on evaluation of molecular integrals. 
Quantum Monte Carlo methods for the solution of the Schroedinger
Author:
Alán AspuruGuzik, William A. Lester Jr
Language:
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 Statistical Mechanical Approach to Combinatorial Chemistry
Author:
Michael W. Deem
Language:
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 . . . . . 
Computational Quantum Chemistry
Author:

Language:
Different lecturs about Quantum Compuational Chemistry: Basic Theory of Quantum Chemistry, HartreeFock and Configuration Interaction, CoupledCluster and ManyBody Perturbation Theory, Computer Pro . . . . . 
An Introduction to Configuration Interaction Theory
Author:
David Sherill
Language:
An Introduction to Configuration Interaction Theory 58 pp. 
An Introduction to Coupled Cluster Theory
Author:
T. Daniel Crawford and Henry F. Schaefer III
Language:
An Introduction to Coupled Cluster Theory
for Computational Chemists, this work is also in print in Volume 14 of Reviews in Computational Chemistry published by WileyVCH. 