Описание: Reflecting the interdisciplinary nature of Quantum Efficiency in Complex Systems, this title is of interest to physicists, chemists, materials scientists, and device engineers in academia, scientific laboratories and modern industry.
Автор: Y.G. Smeyers Название: Structure and Dynamics of Non-Rigid Molecular Systems ISBN: 9401044643 ISBN-13(EAN): 9789401044646 Издательство: Springer Рейтинг: Цена: 6986.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание: This volume contains a selection of scientific papers related to the structure and dynamics of non-rigid molecules. More recently an International Symposium on Non-Rigid Molecules was held in Paris, France, from 1-7 July 1982, the proceedings of which were published in the volume entitled Symmetries and Properties of Non-Rigid Molecules.
Автор: Jean-Louis Rivail; Manuel Ruiz-Lopez; Xavier Assfe Название: Quantum Modeling of Complex Molecular Systems ISBN: 3319361422 ISBN-13(EAN): 9783319361420 Издательство: Springer Рейтинг: Цена: 26120.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание:
Addressing the Issues of Non-Additivity in the Development of Quantum Chemistry-Grounded Polarizable Molecular Mechanics, Noad Gresh, Krystel El Hage, Elodie Goldwaser, Benoit de Courcy, Robin Chaudret, David Perahia, Christophe Narth, Louis Lagardere, Filippo lipparini, Jean-Philippe Piquemal.- Proton Transfer in Aqueous Solution: Exploring the Boundaries of Adaptative QM/MM, T. Jiang, J.M. Boereboom, C. Michel, P. Fleurat-Lessard, R.E. Bulo.- Recent Progress in Adaptive-Partitioning QM/MM Methods for Born-Oppenheimer Molecular Dynamics, Soroosh Pezeshki, Hai Lin.- Probing Proton Transfer Reactions in Molecular Dynamics- A Crucial Prerequisite for QM/MM Simulations Using Dissociative Models, Thomas S. Hofer.- Accelerating QM/MM Calculations by Using the Mean Field Approximation, M. Elena Martнn, M. Luz Sбnchez, Aurora Muсoz-Losa, Ignacio Fdez. Galvбn, Manuel A. Aguilar.- Development of a Massively Parallel QM/MM Approach Combined with a Theory of Solutions, Hideaki Takahashi, Nobuyuki Matubayasi.- Structure and Electronic Properties of Liquids and Complex Molecular Systems in Solution: Coupling Many-Body Energy Decomposition Schemes to Born-Oppenheimer Molecular Dynamics, Benedito J. C. Cabral, K. Coutinho, and S. Canuto.- Free Energy Gradient Method and its Recent Related Developments: Free Energy Optimization and Vibrational Frequency Analysis in Solution, Yukichi Kitamura, Norio Ta
kenaka, Yoshiyuki Koyano, Masataka Nagaoka.- Towards an Accurate Model for Halogens in Aqueous Solutions, M. I. Bernal-Uruchurtu, A. Alcaraz Torres, F. A. Batista Romero, R. Hernбndez-Lamoneda.- Theoretical Studies of the Solvation of abundant Toxic Mercury Species in Aqueous Media, Jorge Ivбn Amaro-Estrada and Alejandro Ramнrez-Solнs.- Advances in QM/MM Molecular Dynamics Simulations of Chemical Processes at Aqueous Interfaces, Marilia T. C. Martins-Costa and M. F. Ruiz-Lуpez.- QM/MM Approaches for the Modeling of Photoinduced Processes in Biological Systems, Benedetta Mennucci.- The Non Empirical Local Self Consistent Field Method. Application to Quantum Mechanics/Molecular Mechanics (QM/MM) Modeling of Large Biomolecular Systems, Jean-Louis Rivail, Antonio Monari, Xavier Assfeld.- Computational Study of the Initial Step in the Reaction Mechanism of Dehaloperoxidase A. Consistent Assignment of the Protonation of Residues at the Active Site and the Movement of the His55 Residue, Fiorentina Bottinelli, Patricia Saenz-Mйndez, Oscar N. Ventura.- Exploring Chemical Reactivity in Enzyme Catalyzed Processes Using QM/MM Methods. An Application to Dihydrofalate Reductase, J. Javier Ruiz-Pernнa, Vicent Moliner, Iсaki Tuсуn.- Multistate Modelling of In-Situ Oil Sands Upgrading with Molybdenum Carbide Nanoparticles, Xingchen Liu, Baojing Zhou, Farouq Ahmed, Alexander Tkalych, Akira Miyamoto and Dennis R. Salahub.- Computational Spectroscopy in Solution: Methods and Models for Investigating Complex Systems, Vincenzo Barone, Enrico Benassi, Ivan Carnimeo.
Автор: Fabien Gatti Название: Molecular Quantum Dynamics ISBN: 3662512262 ISBN-13(EAN): 9783662512265 Издательство: Springer Рейтинг: Цена: 14365.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание: Emphasizing fundamental educational concepts, this book offers an accessible introduction that covers eigenstates, wave packets, quantum mechanical resonances and more. Examples show that high-level experiments and theory must work closely together.
Автор: George Floudas; Marian Paluch; Andrzej Grzybowski; Название: Molecular Dynamics of Glass-Forming Systems ISBN: 3642266274 ISBN-13(EAN): 9783642266270 Издательство: Springer Рейтинг: Цена: 32651.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание: This book reviews the effects of pressure on the dynamics of a variety of glass-forming systems, offering a detailed discussion of the thermodynamics of these systems and their relation to chemical specificity as well as present and potential applications.
Описание: This is the first comprehensive treatment of the interactions of atoms and molecules with charged particles, photons and laser fields. Addressing the subject from a unified viewpoint, the volume reflects our present understanding of many-particle dynamics in rearrangement and fragmentation reactions.
Автор: J. Broeckhove; L. Lathouwers Название: Time-Dependent Quantum Molecular Dynamics ISBN: 1489923284 ISBN-13(EAN): 9781489923288 Издательство: Springer Рейтинг: Цена: 27950.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание: Proceedings of a NATO ARW held in Snowbird, Utah, March 30-April 4, 1992
Introduction to computer simulations in modern science.- Theoretical approaches for multiscale computer simulations.- Atomic clusters and nanoparticles.- Biomolecular systems.- Nanostructured materials.- Composite materials and hybrid molecular systems.- Crystals, liquids, gases.- Thermo-mechanical properties of materials and related phenomena.- Dynamical molecular processes and related phenomena.- Multiscale phenomena.- Emerging Technologies.- Future outlook.
Автор: J. Broeckhove; L. Lathouwers Название: Time-Dependent Quantum Molecular Dynamics ISBN: 0306443058 ISBN-13(EAN): 9780306443053 Издательство: Springer Рейтинг: Цена: 34799.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание: Proceedings of a NATO ARW held in Snowbird, Utah, March 30-April 4, 1992
Автор: R. Daudel; J.P. Korb; J.P. Lemaistre; J. Maruani Название: Structure and Dynamics of Molecular Systems ISBN: 9027719772 ISBN-13(EAN): 9789027719775 Издательство: Springer Рейтинг: Цена: 24450.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание: This volume is the first of a set of two which contain the invited lectures given at the international seminar of the same title held at the Centre de Mecanique Ondulatoire Appliquee du Centre National de la Recherche Scientifique in Paris (France) from October 1983 to May 1985.
Автор: R. Daudel; J.P. Korb; J.P. Lemaistre; J. Maruani Название: Structure and Dynamics of Molecular Systems ISBN: 9401085722 ISBN-13(EAN): 9789401085724 Издательство: Springer Рейтинг: Цена: 12157.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание: The first two papers of the present volume deal with theoretical aspects of intermolecular interactions: the first paper with the physical origin of the so-called non-exchange molecular terms, a complete deriva- tion of which is given using Rayleigh-Schrodinger second-order perturba- tion theory;
Автор: R. Daudel; J.P. Korb; J.P. Lemaistre; J. Maruani Название: Structure and Dynamics of Molecular Systems ISBN: 9401088608 ISBN-13(EAN): 9789401088602 Издательство: Springer Рейтинг: Цена: 24450.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание: This volume is the first of a set of two which contain the invited lectures given at the international seminar of the same title held at the Centre de Mecanique Ondulatoire Appliquee du Centre National de la Recherche Scientifique in Paris (France) from October 1983 to May 1985.
ООО "Логосфера " Тел:+7(495) 980-12-10 www.logobook.ru
