This series is reviewing advances in the rapidly growing and evolving field of computational chemistry. It was established to keep track of the many new developments and is therefore providing a valuable service to the scientific community.
This series is reviewing advances in the rapidly growing and evolving field of computational chemistry. It was established to keep track of the many n...
Computational chemistry is increasingly used in conjunction with organic, inorganic medicinal, biological, physical, and analytical chemistry, biotechnology, materials science, and chemical physics. This 11-volume set aims to keep readers abreast of developments in computational chemistry.
Computational chemistry is increasingly used in conjunction with organic, inorganic medicinal, biological, physical, and analytical chemistry, biotech...
This volume, like those prior to it, features chapters by experts in various fields of computational chemistry. Topics covered in Volume 18 include molecular modeling, computer-assisted molecular design (camd), quantum chemistry, molecular mechanics and dynamics, and quantitative structure-activity relationships (qsar).
This volume, like those prior to it, features chapters by experts in various fields of computational chemistry. Topics covered in Volume 18 include mo...
HOW DOES ONE COMPUTE FREE ENERGY AND ENTROPY FROM MOLECULAR SIMULATIONS? WHAT HAPPENS WHEN SIMULATIONS ARE RUN WITH CONSTRAINTS? HOW SHOULD SIMULATIONS BE PERFORMED TO MODEL INTERFACIAL PHENOMENA? HOW IS DENSITY FUNCTIONAL THEORY USED TO SIMULATE MATERIALS? WHAT QUANTUM MECHANICAL METHODS SHOULD BE USED TO COMPUTE NONLINEAR OPTICAL PROPERTIES OF MATERIALS? WHICH PARAMETERS ARE MOST INFLUENTIAL IN A MOLECULAR SIMULATION? HOW CAN CRYSTAL STRUCTURES BE PREDICTED? TUTORIALS PROVIDING ANSWERS TO THESE...
VOLUME 12: REVIEWS IN COMPUTATIONAL CHEMISTRY
Kenny B. Lipkowitz and Donald B. Boyd
HOW DOES ONE COMPUTE FREE ENERGY AND ENTROPY FROM MOLECU...
Computational chemistry is the use of computer programs to solve either quantum or physical chemistry related problems. It is increasingly used in conjunction with organic, inorganic, medicinal, biological, physical, and analytical chemistry. The Reviews in Computational Chemistry series brings together authorities in the field of computer-aided molecular research to cover topics which will prove of interest to both practitioners and students. The chapters can be used for tutorials to introduce the many facets of computational chemistry. The authors have also provided the necessary...
Computational chemistry is the use of computer programs to solve either quantum or physical chemistry related problems. It is increasingly used in con...
The Reviews in Computational Chemistry series brings together authorities in the field of computer aided molecular research. It contains updated and comprehensive compendiums of molecular modelling software, listing hundreds of programs, services and suppliers that will be of considereable use to chemists.
The Reviews in Computational Chemistry series brings together authorities in the field of computer aided molecular research. It contains updated and c...
The chapters in this series are approached in a tutorial manner and written in a non-mathematical style, allowing students and researchers to access computational methods outside their immediate area of expertise. The authors provide the necessary background and theory, strategies for using the methods correctly, pitfalls to avoid, applications and references.
The chapters in this series are approached in a tutorial manner and written in a non-mathematical style, allowing students and researchers to access c...
Computational chemistry is increasingly used in most areas of molecular science including organic, inorganic, medicinal, biological, physical, and analytical chemistry. Researchers in these fields who do molecular modelling need to understand and stay current with recent developments. This volume, like those prior to it, features chapters by experts in various fields of computational chemistry. Two chapters focus on molecular docking, one of which relates to drug discovery and cheminformatics and the other to proteomics. In addition, this volume contains tutorials on spin-orbit coupling and...
Computational chemistry is increasingly used in most areas of molecular science including organic, inorganic, medicinal, biological, physical, and ana...
THIS VOLUME, LIKE THOSE PRIOR TO IT, FEATURES CHAPTERS BY EXPERTS IN VARIOUS FIELDS OF COMPUTATIONAL CHEMISTRY. TOPICS COVERED IN VOLUME 20 INCLUDE VALENCE THEORY, ITS HISTORY, FUNDAMENTALS, AND APPLICATIONS; MODELING OF SPIN-FORBIDDEN REACTIONS; CALCULATION OF THE ELECTRONIC SPECTRA OF LARGE MOLECULES; SIMULATING CHEMICAL WAVES AND PATTERNS; FUZZY SOFT-COMPUTING METHODS AND THEIR APPLICATIONS IN CHEMISTRY; AND DEVELOPMENT OF COMPUTATIONAL MODELS FOR ENZYMES, TRANSPORTERS, CHANNELS, AND RECEPTORS RELEVANT TO ADME/TOX. FROM REVIEWS OF THE SERIES "Reviews in Computational Chemistry...
THIS VOLUME, LIKE THOSE PRIOR TO IT, FEATURES CHAPTERS BY EXPERTS IN VARIOUS FIELDS OF COMPUTATIONAL CHEMISTRY. TOPICS COVERED IN VOLUME 20 INCLUDE VA...
REVIEWS IN COMPUTATIONAL CHEMISTRY Kenny B. Lipkowitz, Raima Larter, and Thomas R. Cundari
This volume, like those prior to it, features chapters by experts in various fields of computational chemistry. TOPICS COVERED IN Volume 21 iNCLUDE AB INITIO QUANTUM SIMULATION IN SOLID STATE CHEMISTRY; MOLECULAR QUANTUM SIMILARITY; ENUMERATING MOLECULES; VARIABLE SELECTION; BIOMOLECULAR APPLICATIONS OF POISSON-BOLTZMANN METHODS; AND DATA SOURCES AND COMPUTATIONAL APPROACHES FOR GENERATING MODELS OF GENE REGULATORY NETWORKS.
FROM REVIEWS OF THE SERIES "Reviews in...
REVIEWS IN COMPUTATIONAL CHEMISTRY Kenny B. Lipkowitz, Raima Larter, and Thomas R. Cundari