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41. The Basics of Theoretical and Computational Chemistry by Bernd Michael Rode, Thomas S. Hofer, Michael D. Kugler | |
Hardcover: 195
Pages
(2007-03-27)
list price: US$90.00 -- used & new: US$55.20 (price subject to change: see help) Asin: 3527317732 Average Customer Review: Canada | United Kingdom | Germany | France | Japan | |
Editorial Review Product Description Throughout the chapters, mathematics are differentiated by necessity for understanding - fundamental formulae, and all the others. All formulae are explained step by step without omission, but the non-vital ones are marked and can be skipped by those who do not relish complex mathematics. The reader will find the text a lucid and innovative introduction to theoretical and computational chemistry, with food for thought given at the end of each chapter in the shape of several questions that help develop understanding of the concepts. What the reader will not find in this book are condescending sentences such as, 'From (formula A) and (formula M) it is obvious that (formula Z).' Customer Reviews (1)
Too many fundamental errors to be worth considering. |
42. Trends in Computational Nanomechanics: Transcending Length and Time Scales (Challenges and Advances in Computational Chemistry and Physics) | |
Hardcover: 620
Pages
(2009-12-14)
list price: US$449.00 -- used & new: US$375.00 (price subject to change: see help) Asin: 1402097840 Canada | United Kingdom | Germany | France | Japan | |
Editorial Review Product Description Trends in Computational Nanomechanics reviews recent advances in analytical and computational modeling frameworks to describe the mechanics of materials on scales ranging from the atomistic, through the microstructure or transitional, and up to the continuum. The book presents new approaches in the theory of nanosystems, recent developments in theoretical and computational methods for studying problems in which multiple length and/or time scales must be simultaneously resolved, as well as example applications in nanomechanics. This title will be a useful tool of reference for professionals, graduates and undergraduates interested in Computational Chemistry and Physics, Materials Science, Nanotechnology. |
43. Water in Biology, Chemistry and Physics: Experimental Overviews and Computational Methodologies (World Scientific Series in Contemporary Chemical Physics) by Sheng-Bai Zhu, Myron W. Evans, G. Wilse Robinson | |
Hardcover: 509
Pages
(1996-06)
list price: US$94.00 Isbn: 9810224516 Canada | United Kingdom | Germany | France | Japan | |
Editorial Review Product Description |
44. Solvation Effects on Molecules and Biomolecules: Computational Methods and Applications (Challenges and Advances in Computational Chemistry and Physics) | |
Paperback: 500
Pages
(2010-11-02)
list price: US$569.00 -- used & new: US$449.82 (price subject to change: see help) Asin: 9048178266 Canada | United Kingdom | Germany | France | Japan | |
Editorial Review Product Description This volume is an interdisciplinary treatise on the theoretical approach to solvation problems. It describes the essential details of the theoretical methods and places them into the context of modern applications, and hence is of broad interest to theoreticians and experimentalists. The assembly of these modern methods and applications into one volume is a unique contribution to date and gives a broad and ample description of the field in its present stage of development. |
45. Simulation and Theory of Electrostatic Interactions in Solution: Computational Chemistry, Biophysics and Aqueous Solutions: Santa Fe, New Mexico, USA, 23-25 June 1999 (AIP Conference Proceedings) | |
Hardcover: 534
Pages
(1999-11-08)
list price: US$140.00 Isbn: 1563969068 Canada | United Kingdom | Germany | France | Japan | |
Editorial Review Product Description |
46. Computational Advances in Organic Chemistry: Molecular Structure and Reactivity (NATO Science Series C: (closed)) | |
Hardcover: 436
Pages
(1990-12-31)
list price: US$299.00 -- used & new: US$124.00 (price subject to change: see help) Asin: 0792310640 Canada | United Kingdom | Germany | France | Japan | |
47. Annual Reports in Computational Chemistry, Volume 3 | |
Hardcover: 254
Pages
(2007-10-15)
list price: US$234.00 -- used & new: US$29.99 (price subject to change: see help) Asin: 0444530886 Canada | United Kingdom | Germany | France | Japan | |
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48. Recent Advances in Density Functional Methods Part III (Recent Advances in Computational Chemistry) (Pt. 3) by Vincenzo Barone | |
Hardcover: 432
Pages
(2002-03-01)
list price: US$116.00 -- used & new: US$108.23 (price subject to change: see help) Asin: 9810248253 Canada | United Kingdom | Germany | France | Japan | |
Editorial Review Product Description The growing use of DFT in studying organic, inorganic and organometallic molecules, clusters and solids provided the basis for the success of the conference, whose main contributions are collected in this invaluable book. |
49. Multi-scale Quantum Models for Biocatalysis: Modern Techniques and Applications (Challenges and Advances in Computational Chemistry and Physics) | |
Hardcover: 422
Pages
(2009-06-30)
list price: US$509.00 -- used & new: US$409.48 (price subject to change: see help) Asin: 140209955X Canada | United Kingdom | Germany | France | Japan | |
Editorial Review Product Description “Multi-scale Quantum Models for Biocatalysis” explores various molecular modelling techniques and their applications in providing an understanding of the detailed mechanisms at play during biocatalysis in enzyme and ribozyme systems. These areas are reviewed by an international team of experts in theoretical, computational chemistry, and biophysics. This book presents detailed reviews concerning the development of various techniques, including ab initio molecular dynamics, density functional theory, combined QM/MM methods, solvation models, force field methods, and free-energy estimation techniques, as well as successful applications of multi-scale methods in the biocatalysis systems including several protein enzymes and ribozymes. This book is an excellent source of information for research professionals involved in computational chemistry and physics, material science, nanotechnology, rational drug design and molecular biology and for students exposed to these research areas. |
50. Theoretical Biochemistry - Processes and Properties of Biological Systems, Volume 9 (Theoretical and Computational Chemistry) by L.A. Eriksson | |
Hardcover: 720
Pages
(2001-03-05)
list price: US$429.00 -- used & new: US$164.99 (price subject to change: see help) Asin: 0444502920 Canada | United Kingdom | Germany | France | Japan | |
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51. Computational Quantum Chemistry II - The Group Theory Calculator by Charles M. Quinn, Patrick Fowler, David Redmond | |
Hardcover: 196
Pages
(2006-01-11)
list price: US$187.00 -- used & new: US$62.20 (price subject to change: see help) Asin: 0123704561 Canada | United Kingdom | Germany | France | Japan | |
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52. Kinetics and Dynamics: From Nano- to Bio-Scale (Challenges and Advances in Computational Chemistry and Physics) | |
Hardcover: 575
Pages
(2010-08-11)
list price: US$449.00 -- used & new: US$359.20 (price subject to change: see help) Asin: 9048130336 Canada | United Kingdom | Germany | France | Japan | |
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53. Computational Materials Chemistry: Methods and Applications | |
Paperback: 380
Pages
(2010-11-30)
list price: US$129.00 -- used & new: US$129.00 (price subject to change: see help) Asin: 9048164974 Canada | United Kingdom | Germany | France | Japan | |
Editorial Review Product Description This volume illustrates the contributions that modern techniques in simulation and modeling can make to materials chemistry research and the level of accuracy achievable. While new developments in simulation and modeling are discussed to some extent, the major emphasis is on applications to materials chemistry including in areas of surface chemistry, solid state chemistry, polymer chemistry and nanoscience. The phenomenal improvement in both theoretical methods and computer technology have made it possible for computational chemistry to achieve a new level of chemical accuracy that is providing significant insight into the effect of chemical reactivity on the behavior of materials and helping to design new materials. Audience: Researchers, teachers, and students in chemistry and physics. |
54. Computational Chemistry Using the PC by Donald W. Rogers | |
Hardcover: 349
Pages
(2003-10-03)
list price: US$105.00 -- used & new: US$81.70 (price subject to change: see help) Asin: 0471428000 Average Customer Review: Canada | United Kingdom | Germany | France | Japan | |
Editorial Review Product Description Customer Reviews (1)
I am very afraid |
55. Advances in the Theory of Atomic and Molecular Systems: Conceptual and Computational Advances in Quantum Chemistry (Progress in Theoretical Chemistry and Physics) | |
Hardcover: 450
Pages
(2009-10-28)
list price: US$339.00 -- used & new: US$203.20 (price subject to change: see help) Asin: 9048125952 Canada | United Kingdom | Germany | France | Japan | |
Editorial Review Product Description Advances in the Theory of Atomic and Molecular Systems, is a collection of contributions presenting recent theoretical and computational developments that provide new insights into the structure, properties, and behavior of a variety of atomic and molecular systems. This volume (subtitled: Conceptual and Computational Advances in Quantum Chemistry) focuses on electronic structure theory and its foundations. This volume is an invaluable resource for faculty, graduate students, and researchers interested in theoretical and computational chemistry and physics, physical chemistry and chemical physics, molecular spectroscopy, and related areas of science and engineering. |
56. Fundamentals of Molecular Similarity (Mathematical and Computational Chemistry) | |
Paperback: 374
Pages
(2010-11-02)
list price: US$95.00 -- used & new: US$95.00 (price subject to change: see help) Asin: 1441933441 Canada | United Kingdom | Germany | France | Japan | |
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57. Computational Theoretical Organic Chemistry (NATO Science Series C: (closed)) | |
Hardcover: 434
Pages
(1981-04-30)
list price: US$199.00 -- used & new: US$199.00 (price subject to change: see help) Asin: 9027712700 Canada | United Kingdom | Germany | France | Japan | |
58. Theoretical Organic Chemistry, Volume 5 (Theoretical and Computational Chemistry) | |
Hardcover: 636
Pages
(1997-12-23)
list price: US$397.00 -- used & new: US$229.98 (price subject to change: see help) Asin: 0444826602 Canada | United Kingdom | Germany | France | Japan | |
Editorial Review Product Description The objective in this volume has been to provide a cross-section of a number of interesting topics in theoretical organic chemistry, starting with a detailed account of the historical development of this discipline and including topics devoted to quantum chemistry, physical properties of organic compounds, their reactivity, their biological activity, and their excited-state properties. |
59. Highlights in Computational Chemistry (With CD-ROM) | |
Hardcover: 380
Pages
(2001-04-15)
list price: US$95.00 -- used & new: US$150.00 (price subject to change: see help) Asin: 354067876X Canada | United Kingdom | Germany | France | Japan | |
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60. Computational Chemistry and Chemical Engineering: Proceedings of the Third Unam-Cray Supercomputing Conference : Universidad Nacional Autonoma De Mexico, 13-16 August 1996 by Unam-Cray Supercomputing Conference, Gerardo Cisneros | |
Hardcover: 403
Pages
(1998-03)
list price: US$109.00 Isbn: 9810232209 Canada | United Kingdom | Germany | France | Japan | |
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