Choose an application

• Reference Manager
• EndNote
• RefWorks (Direct export to RefWorks)

Pharmaceutical chemistry --- Drugs --- Chimie pharmaceutique --- Médicaments --- Popular works --- Ouvrages de vulgarisation --- Médicaments

Choose an application

• Reference Manager
• EndNote
• RefWorks (Direct export to RefWorks)

Acqui 2006 --- CHEMISTRY --- POPULAR WORKS

Choose an application

• Reference Manager
• EndNote
• RefWorks (Direct export to RefWorks)

Chimie

Choose an application

• Reference Manager
• EndNote
• RefWorks (Direct export to RefWorks)

Choose an application

• Reference Manager
• EndNote
• RefWorks (Direct export to RefWorks)

At the time when increasing numbers of chemists are being attracted by the fascination of supposedly easy computing and associated colourful imaging, this book appears as a counterpoint. The first part focuses on fundamental concepts of quantum chemistry, covering MCSCF theory, perturbation treatments, basis set developments, density matrices, wave function instabilities to correlation effects, and momentum space theory. The second part is devoted to more practical studies, ranging from the characterisation of exotic interstellar molecules, the accurate determination of spectroscopic constants, excited states structures and EPR parameters through photochemical and charge-transfer processes, cluster chemistry and fullerenes, muonium chemistry, to the possible prediction of the response of materials to electric fields in view of nonlinear optical applications. Audience: Graduate students and researchers whose work involves quantum chemistry, molecular physics, and materials modelling.

Quantum chemistry --- fysicochemie --- Quantum chemistry. --- Chemistry, Physical organic. --- Chemistry. --- Surfaces (Physics). --- Physical Chemistry. --- Computer Applications in Chemistry. --- Atomic, Molecular, Optical and Plasma Physics. --- Characterization and Evaluation of Materials. --- Physical chemistry. --- Chemoinformatics. --- Atoms. --- Physics. --- Materials science. --- Material science --- Physical sciences --- Natural philosophy --- Philosophy, Natural --- Dynamics --- Chemistry, Physical and theoretical --- Matter --- Stereochemistry --- Chemical informatics --- Chemiinformatics --- Chemoinformatics --- Chemistry informatics --- Chemistry --- Information science --- Computational chemistry --- Chemistry, Theoretical --- Physical chemistry --- Theoretical chemistry --- Constitution --- Data processing --- Chemistry, Quantum --- Quantum theory --- Excited state chemistry