While modern computational methods can provide us with the wave function of a molecule in numerical form, most computer programs lack the sophisticated tools needed to extract chemical concepts from these wave functions.
Brings Readers from the Threshold to the Frontier of Modern Research Many-Body Methods for Atoms and Molecules addresses two major classes of theories of electron correlation: the many-body perturbation theory and coupled cluster methods.
This text discusses di-p-methane rearrangements via radical-cation intermediates, the photo-Fries rearrangement in organized media and of biologically active compounds, electron transfer leading to fragmentation, dimerization, and nucleophilic capture, and the characterization and reactivity of photochemically generated phenylene bis(diradical) spe
This text discusses di-p-methane rearrangements via radical-cation intermediates, the photo-Fries rearrangement in organized media and of biologically active compounds, electron transfer leading to fragmentation, dimerization, and nucleophilic capture, and the characterization and reactivity of photochemically generated phenylene bis(diradical) spe
The first two editions of Concise Chemical Thermodynamics proved to be a very popular introduction to a subject many undergraduate students perceive to be difficult due to the underlying mathematics.
Presenting the first database of its kind, this unique reference illustrates the relationships between the chemistry and developmental toxicity of a number of important pharmaceuticals and industrial toxicants.
Update your knowledge of the chemical, biological, and physical properties of liquid-liquid interfaces with Liquid-Liquid Interfaces: Theory and Methods.
Update your knowledge of the chemical, biological, and physical properties of liquid-liquid interfaces with Liquid-Liquid Interfaces: Theory and Methods.
This contributed volume overviews recently presented approaches for carrying out QSPR/QSAR analysis by using a simplifying molecular input-line entry system (SMILES) to represent the molecular structure.
The role of stereochemistry to elucidate reaction patterns and physico-chemical properties in topical subjects ranging from inorganic to organic chemistry are treated in the fifth and final volume of this series.
Physical Sciences Data, Volume 16: Gaussian Basis Sets for Molecular Calculations provides information pertinent to the Gaussian basis sets, with emphasis on lithium, radon, and important ions.
Chemical vapor sensing arrays have grown in popularity over the past two decades, finding applications for tasks such as process control, environmental monitoring, and medical diagnosis.
Chemical Bonds and Bonds Energy, Second Edition provides information pertinent to the fundamental aspects of contributing bond energy and bond dissociation energy.
The Chemisorptive Bond: Basic Concepts describes the basic concepts of the chemisorptive bond on solid surfaces from the simple analogies with ordinary chemical bonds to the quantum-mechanical approaches.
Diatomic Molecules: Results of Ab Initio Calculations provides the results obtained from quantum-mechanical calculations on the electronic structure of diatomic molecules.
This book builds bridges between two yet separated branches of theoretical and mathematical chemistry: Chemical Graph Theory and Electronic Structure Calculations.
These two volumes collect thirty-eight selected papers from the scientific contributions presented at the Fourth European Workshop on Quantum Systems in Chemistry and Physics (QSCP-IV), held in Marly-le-Roi (France) in April 22-27, 1999, A total ofone hundred and fifteen scientists attended the workshop, 99 from Europe and 16 from the rest ofthe world.
These two volumes collect thirty-eight selected papers from the scientific contributions presented at the Fourth European Workshop on Quantum Systems in Chemistry and Physics (QSCP-IV), held in Marly-le-Roi (France) in April 22-27, 1999.
