Excited States in Organic Chemistry and Biochemistry, A. Pullman; N. Goldblum

Название: Advanced Organic Chemistry. Part A: Structure and Mechanisms
ISBN: 0387683461 ISBN-13(EAN): 9780387683461
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Описание: The two-part, fifth edition of Advanced Organic Chemistry has been substantially revised and reorganized for greater clarity. together, with Part B: Reaction and Synthesis, the two volumes provide a comprehensive foundation for the study in organic chemistry.

Автор: D. Michael P. Mingos
Название: Nitrosyl Complexes in Inorganic Chemistry, Biochemistry and Medicine I
ISBN: 3662510871 ISBN-13(EAN): 9783662510872
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Описание: The series Structure and Bonding publishes critical reviews on topics of research concerned with chemical structure and bonding.

Автор: Nicolas Ferr?; Michael Filatov; Miquel Huix-Rotlla
Название: Density-Functional Methods for Excited States
ISBN: 3319220802 ISBN-13(EAN): 9783319220802
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Описание: Current status and recent developments in linear response TD-DFT.- Density matrix functional theory (DMFT) and linear response time-dependent DMFT (TD-DMFT) for excited states.- Ensemble DFT for strongly correlated molecules and excited states.- Dynamical processes in open quantum systems from a TD-DFT perspective.- Computational Molecular Spectroscopy with TD-DFT.- Non-linear response and multi-dimensional spectroscopy using time-dependent DFT.- Absorption spectroscopy, emissive properties and ultra-fast intersystem crossing processes in transition metal complexes: TD-DFT and Spin-Orbit Coupling.- Excitons and extended systems in TD-DFT.- Conical intersections with DFT methods.- Multi-scale modeling of photochemistry with TD-DFT.- Semi-classical surface-hopping dynamics using potential energy surfaces from time-dependent DFT calculations.

Автор: Bruce L. Yoder
Название: Steric Effects in the Chemisorption of Vibrationally Excited Methane on Nickel
ISBN: 366252161X ISBN-13(EAN): 9783662521618
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Описание: This book describes the investigation of an unknown steric effect in the reaction between a vibrationally excited methane molecule colliding with the surface of the nickel crystal, a discovery which could lead to improvements in commercial hydrogen production.

Автор: A. Pullman; N. Goldblum
Название: Metal-Ligand Interactions in Organic Chemistry and Biochemistry
ISBN: 9401763941 ISBN-13(EAN): 9789401763943
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Автор: A. Pullman; N. Goldblum
Название: Metal-Ligand Interactions in Organic Chemistry and Biochemistry
ISBN: 9401011729 ISBN-13(EAN): 9789401011723
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Описание: The 9th Jerusalem Symposium was dedicated to the memory of Professor Ernst David Bergmann. During this session, Professor Bergmann`s personality, scien- tific achievements and contributions to the development of his country were described and praised, besides President Katzir, by Professor A.

Автор: R. van Eldik; Jiri Jonas
Название: High Pressure Chemistry and Biochemistry
ISBN: 9401082030 ISBN-13(EAN): 9789401082037
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Описание: Proceedings of the NATO Advanced Study Institute, Corfu, Greece, September 28-October 11, 1986

Автор: Marc le Maire; Raymond Chabaud; Guy Herv?
Название: Laboratory Guide to Biochemistry, Enzymology, and Protein Physical Chemistry
ISBN: 1461367042 ISBN-13(EAN): 9781461367048
Издательство: Springer
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Цена: 6986.00 р.
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Автор: Nicolas Ferr?; Michael Filatov; Miquel Huix-Rotlla
Название: Density-Functional Methods for Excited States
ISBN: 3319387243 ISBN-13(EAN): 9783319387246
Издательство: Springer
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Цена: 28732.00 р.
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Описание: Current status and recent developments in linear response TD-DFT.- Density matrix functional theory (DMFT) and linear response time-dependent DMFT (TD-DMFT) for excited states.- Ensemble DFT for strongly correlated molecules and excited states.- Dynamical processes in open quantum systems from a TD-DFT perspective.- Computational Molecular Spectroscopy with TD-DFT.- Non-linear response and multi-dimensional spectroscopy using time-dependent DFT.- Absorption spectroscopy, emissive properties and ultra-fast intersystem crossing processes in transition metal complexes: TD-DFT and Spin-Orbit Coupling.- Excitons and extended systems in TD-DFT.- Conical intersections with DFT methods.- Multi-scale modeling of photochemistry with TD-DFT.- Semi-classical surface-hopping dynamics using potential energy surfaces from time-dependent DFT calculations.

Автор: J. F?nfschilling
Название: Relaxation Processes in Molecular Excited States
ISBN: 9401068763 ISBN-13(EAN): 9789401068765
Издательство: Springer
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Описание: Relaxation phenomena of excited molecular states are abundant in all nature. Even in these seemingly simple systems of isolated guest molecules in a single crystal host, the relaxation phenomena are quite involved and a very thorough investigation is necessary to find the key relaxation processes.