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Thom H. Dunning, Jr.
In this Festschrift celebrating the career of Thom H. Dunning, Jr., selected researchers in theoretical chemistry present research highlights on major developments in the field. Originally published in the journal Theoretical Chemistry Accounts, these outstanding contributions are now available in a hardcover print format, as well as a special electronic edition. This volume provides valuable c…
- Edition
- -
- ISBN/ISSN
- 978-3-662-47051-0
- Collation
- 56 b/w illustrations, 98 illustrations in colour
- Series Title
- -
- Call Number
- -
Noncovalent Forces
Computational methods, and in particular quantum chemistry, have taken the lead in our growing understanding of noncovalent forces, as well as in their categorization. This volume describes the current state of the art in terms of what we now know, and the current questions requiring answers in the future. Topics range from very strong (ionic) to very weak (CH--π) interactions. In the intermed…
- Edition
- 1
- ISBN/ISSN
- 2542-4491
- Collation
- VIII, 532
- Series Title
- Challenges and Advances in Computational Chemistry and Physics
- Call Number
- -
Guosen Yan: A Festschrift from Theoretical Chemistry Accounts
In this Festschrift dedicated to the 85th birthday of Professor Guosen Yan, selected researchers in theoretical chemistry present research highlights on major developments in the field. Originally published in the journal Theoretical Chemistry Accounts, these outstanding contributions are now available in a hardcover print format, as well as a special electronic edition. This volume provides va…
- Edition
- -
- ISBN/ISSN
- 978-3-662-47844-8
- Collation
- VI, 209
- Series Title
- -
- Call Number
- 540.1 GUO
Gregory S. Ezra: A Festschrift from Theoretical Chemistry Accounts
In this Festschrift dedicated to the 60th birthday of Gregory S. Ezra, selected researchers in theoretical chemistry present research highlights on major developments in the field. Originally published in the journal Theoretical Chemistry Accounts, these outstanding contributions are now available in a hardcover print format, as well as a special electronic edition. This volume provides valuabl…
- Edition
- -
- ISBN/ISSN
- 978-3-662-47376-4
- Collation
- V, 183
- Series Title
- -
- Call Number
- 540 GRE
Exotic Properties of Carbon Nanomatter Advances in Physics and Chemistry
This title reports the state-of-the-art advancements in modeling and characterization of fundamental and the recently designed carbon based nanocomposites (graphenes, fullerenes, polymers, crystals and allotropic forms). Written by leading experts in the field, the book explores the quantification, indexing, and interpretation of physical and chemical exotic properties related with space-tim…
- Edition
- -
- ISBN/ISSN
- 978-94-017-9567-8
- Collation
- XIV, 394
- Series Title
- -
- Call Number
- -
Advance in Structural Bioinformatics
This text examines in detail mathematical and physical modeling, computational methods and systems for obtaining and analyzing biological structures, using pioneering research cases as examples. As such, it emphasizes programming and problem-solving skills. It provides information on structure bioinformatics at various levels, with individual chapters covering introductory to advanced aspects, …
- Edition
- Ed. 1
- ISBN/ISSN
- 978-94-017-9245-5
- Collation
- XI, 383
- Series Title
- Advances in Experimental Medicine and Biology
- Call Number
- 540.1 ADV a
Multifaceted Roles of Crystallography in Modern Drug Discovery
The present work offers a snapshot of the state-of-the-art of crystallographic, analytical, and computational methods used in modern drug design and development. Topics discussed include: drug design against complex systems (membrane proteins, cell surface receptors, epigenetic targets, and ribosomes); modulation of protein-protein interactions; the impact of small molecule structures in drug d…
- Edition
- 1
- ISBN/ISSN
- 978-94-017-9718-4
- Collation
- XI, 240
- Series Title
- NATO Science for Peace and Security Series A: Chemistry and Biology
- Call Number
- -
Modelling Electroanalytical Experiments by the Integral Equation Method
This comprehensive presentation of the integral equation method as applied to electro-analytical experiments is suitable for electrochemists, mathematicians and industrial chemists. The discussion focuses on how integral equations can be derived for various kinds of electroanalytical models. The book begins with models independent of spatial coordinates, goes on to address models in one dimensi…
- Edition
- 1
- ISBN/ISSN
- 978-3-662-44881-6
- Collation
- XVII, 406
- Series Title
- Monographs in Electrochemistry
- Call Number
- -
Transient Changes in Molecular Geometries and How to Model Them
This thesis examines various aspects of excess excitation energy dissipation via dynamic changes in molecular structure, vibrational modes and solvation. The computational work is carefully described and the results are compared to experimental data obtained using femtosecond spectroscopy and x-ray scattering. The level of agreement between theory and experiment is impressive and provides both …
- Edition
- 1
- ISBN/ISSN
- 978-3-319-18747-1
- Collation
- XXXVIII, 146
- Series Title
- Springer Theses
- Call Number
- -
Synergetics of Molecular Systems
Synergetics is the quantitative study of multicomponent systems that exhibit nonlinear dynamics and cooperativity. This book specifically considers basic models of the nonlinear dynamics of molecular systems and discusses relevant applications in biological physics and the polymer sciences. Emphasis is placed on specific solutions to the dynamical equations that correspond to the coherent form…
- Edition
- -
- ISBN/ISSN
- 978-3-319-08195-3
- Collation
- VIII, 332
- Series Title
- Springer Series in Synergetics
- Call Number
- -
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