Listing 1 - 4 of 4 |
Sort by
|
Choose an application
fysicochemie --- Organic reaction mechanisms and kinetics --- organische reacties --- organische verbindingen --- Physical organic chemistry. --- Chemistry, Physical organic --- 547 --- organische chemie
Choose an application
Physical organic chemistry --- Chimie organique physique --- 547 --- Chemistry, Physical organic --- #WSCH:AAS2 --- Chemistry, Organic --- Chemistry, Physical and theoretical --- Organic chemistry --- Physical organic chemistry. --- 547 Organic chemistry
Choose an application
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
Choose an application
This book gathers original contributions from a selected group of distinguished researchers that are actively working in the theory and practical applications of solvent effects and chemical reactions. The importance of getting a good understanding of surrounding media effects on chemical reacting system is difficult to overestimate. Applications go from condensed phase chemistry, biochemical reactions in vitro to biological systems in vivo. Catalysis is a phenomenon produced by a particular system interacting with the reacting subsystem. The result may be an increment of the chemical rate or sometimes a decreased one. At the bottom, catalytic sources can be characterized as a special kind of surrounding medium effect. The materials involving in catalysis may range from inorganic components as in zeolites, homogenous components, enzymes, catalytic antibodies, and ceramic materials. . With the enormous progress achieved by computing technology, an increasing number of models and phenomenological approaches are being used to describe the effects of a given surrounding medium on the electronic properties of selected subsystem. A number of quantum chemical methods and programs, currently applied to calculate in vacuum systems, have been supplemented with a variety of model representations. With the increasing number of methodologies applied to this important field, it is becoming more and more difficult for non-specialist to cope with theoretical developments and extended applications. For this and other reasons, it is was deemed timely to produce a book where methodology and applications were analyzed and reviewed by leading experts in the field.
541.124 --- 541.8 --- #WSCH:AAS2 --- 541.8 Solutions and solubility in general --- Solutions and solubility in general --- 541.124 Chemical dynamics in general. Reaction mechanism in general --- 541.124 Limits of reactions --- Chemical dynamics in general. Reaction mechanism in general --- Limits of reactions --- Solvents. --- Reactivity (Chemistry) --- Solution (Chemistry) --- Solvation --- Solvents --- Fluids --- Plasticizers --- Salt solutions --- Chemistry --- Chemistry, Physical and theoretical --- Matter --- Mixtures --- Cryoscopy --- Osmosis --- Chemical reaction, Conditions and laws of --- Chemical reactions --- Properties --- Solvation. --- Chemistry, Physical organic. --- Chemistry. --- Biochemistry. --- Physical Chemistry. --- Computer Applications in Chemistry. --- Biochemistry, general. --- Condensed Matter Physics. --- Physical chemistry. --- Chemoinformatics. --- Condensed matter. --- Condensed materials --- Condensed media --- Condensed phase --- Materials, Condensed --- Media, Condensed --- Phase, Condensed --- Liquids --- Solids --- Biological chemistry --- Chemical composition of organisms --- Organisms --- Physiological chemistry --- Biology --- Medical sciences --- Chemical informatics --- Chemiinformatics --- Chemoinformatics --- Chemistry informatics --- Information science --- Computational chemistry --- Chemistry, Theoretical --- Physical chemistry --- Theoretical chemistry --- Composition --- Data processing
Listing 1 - 4 of 4 |
Sort by
|