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- catalog abstract "Computational methods are transforming the work of chemical and pharmaceutical laboratories. Increasingly faster and more exact simulation algorithms have made quantum chemistry a valuable tool in the search for active substances. Written by a team of leading international quantum chemists, this book is aimed at both beginners as well as experienced users of quantum chemical methods. All commonly used quantum chemical methods are treated here, including Density Functional Theory, quantum and molecular mechanical approaches. Numerous examples illustrate the use of these methods for dealing with.".
- catalog contributor b12817778.
- catalog contributor b12817779.
- catalog created "c2003.".
- catalog date "2003".
- catalog date "c2003.".
- catalog dateCopyrighted "c2003.".
- catalog description "Advances in density-functional-based modeling techniques -- recent extensions of the Car-Parrinello approach / Daniel Sebastiani, Ursula Röthlisberger -- Density-functional theory applications in computational medicinal chemistry / Andrea Cavalli [and others] -- Applications of Car-Parrinello molecular dynamics in biochemistry -- binding of ligands in myoglobin / Carme Rovira -- Density-functional theory in drug design -- the chemistry of the anti-tumor drug cisplatin and phototactive psoralen compounds / Johan Raber [and others].".
- catalog description "Computational methods are transforming the work of chemical and pharmaceutical laboratories. Increasingly faster and more exact simulation algorithms have made quantum chemistry a valuable tool in the search for active substances. Written by a team of leading international quantum chemists, this book is aimed at both beginners as well as experienced users of quantum chemical methods. All commonly used quantum chemical methods are treated here, including Density Functional Theory, quantum and molecular mechanical approaches. Numerous examples illustrate the use of these methods for dealing with.".
- catalog description "Includes bibliographical references and index.".
- catalog extent "xviii, 281 p. :".
- catalog identifier "3527304568".
- catalog isPartOf "Methods and principles in medicinal chemistry ; v. 17".
- catalog issued "2003".
- catalog issued "c2003.".
- catalog language "eng".
- catalog publisher "Weinheim : Wiley-VCH,".
- catalog subject "541.28024615 21".
- catalog subject "Pharmaceutical chemistry.".
- catalog subject "QD462 .Q346 2003".
- catalog subject "Quantum chemistry.".
- catalog tableOfContents "Advances in density-functional-based modeling techniques -- recent extensions of the Car-Parrinello approach / Daniel Sebastiani, Ursula Röthlisberger -- Density-functional theory applications in computational medicinal chemistry / Andrea Cavalli [and others] -- Applications of Car-Parrinello molecular dynamics in biochemistry -- binding of ligands in myoglobin / Carme Rovira -- Density-functional theory in drug design -- the chemistry of the anti-tumor drug cisplatin and phototactive psoralen compounds / Johan Raber [and others].".
- catalog title "Quantum medicinal chemistry / edited by Paolo Carloni and Frank Alber.".
- catalog type "text".