Theoretical Chemistry for Electronic Excited States, Robb Michael A.
Автор: Vladimir S. Lebedev; Israel L. Beigman Название: Physics of Highly Excited Atoms and Ions ISBN: 364272177X ISBN-13(EAN): 9783642721779 Издательство: Springer Рейтинг: Цена: 16769.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание: This monograph is devoted to the basic aspects of the physics of highly ex- cited (Rydberg) states of atom`s. The principle objective of the present book is to reflect the most important physical approaches and efficient theoretical techniques in the modem physics of highly excited atoms and ions.
Описание: This volume presents a sequence of articles which describe the theoretical treat- ments of investigating the fundamental features in the electronic structures and properties of typical quasi-one-dimensional solids;
Автор: Nicolas Ferr?; Michael Filatov; Miquel Huix-Rotlla Название: Density-Functional Methods for Excited States ISBN: 3319387243 ISBN-13(EAN): 9783319387246 Издательство: Springer Рейтинг: Цена: 28732.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
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: Nicolas Ferr?; Michael Filatov; Miquel Huix-Rotlla Название: Density-Functional Methods for Excited States ISBN: 3319220802 ISBN-13(EAN): 9783319220802 Издательство: Springer Рейтинг: Цена: 39130.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
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.
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: Imre G. Csizmadia; R. Daudel Название: Computational Theoretical Organic Chemistry ISBN: 940098474X ISBN-13(EAN): 9789400984745 Издательство: Springer Рейтинг: Цена: 12157.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание: Proceedings of the NATO Advanced Study Institute, Menton, France, June 29-July 13, 1980
Автор: A. Pullman; N. Goldblum Название: Excited States in Organic Chemistry and Biochemistry ISBN: 9027708533 ISBN-13(EAN): 9789027708533 Издательство: Springer Рейтинг: Цена: 30039.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание: Proceedings of the 10th Jerusalem Symposium on Quantum Chemistry and Biochemistry held in Jerusalem, Israel, March 28-31, 1977
Автор: Robert Steiner Название: Excited States of Proteins and Nucleic Acids ISBN: 1468418807 ISBN-13(EAN): 9781468418804 Издательство: Springer Рейтинг: Цена: 6986.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание: The choice of title for this collective volume reflects the desire of the editors and authors to make clear that, while the bulk of the material is concerned with luminescence, other aspects of the excited state have not been excluded.
Описание: This volume presents a sequence of articles which describe the theoretical treat- ments of investigating the fundamental features in the electronic structures and properties of typical quasi-one-dimensional solids;
Автор: Beno?t Champagne; Michael S. Deleuze; Frank De Pro Название: Theoretical Chemistry in Belgium ISBN: 3662514397 ISBN-13(EAN): 9783662514399 Издательство: Springer Рейтинг: Цена: 15672.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание: Readers of this volume can take a tour around the research locations in Belgium which are active in theoretical and computational chemistry. Selected researchers from Belgium present research highlights of their work. It also provides valuable content for all researchers in theoretical chemistry.
Автор: Jaroslav Bedn?r Название: Theoretical Foundations of Radiation Chemistry ISBN: 902772668X ISBN-13(EAN): 9789027726681 Издательство: Springer Рейтинг: Цена: 30606.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Автор: J. F?nfschilling Название: Relaxation Processes in Molecular Excited States ISBN: 9401068763 ISBN-13(EAN): 9789401068765 Издательство: Springer Рейтинг: Цена: 12157.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
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.
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