標(biāo)題: Titlebook: Computer Modelling of Fluids Polymers and Solids; C. R. A. Catlow,S. C. Parker,M. P. Allen Book 1990 Kluwer Academic Publishers 1990 Poten [打印本頁(yè)] 作者: negation 時(shí)間: 2025-3-21 19:23
書目名稱Computer Modelling of Fluids Polymers and Solids影響因子(影響力)
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書目名稱Computer Modelling of Fluids Polymers and Solids讀者反饋
書目名稱Computer Modelling of Fluids Polymers and Solids讀者反饋學(xué)科排名
作者: 寄生蟲 時(shí)間: 2025-3-21 20:20 作者: groggy 時(shí)間: 2025-3-22 02:33
Non-Equilibrium Statistical Mechanics and Molecular Dynamics Computations,t Time Correlation Function and the Kawasaki formalisms, can be used to derive fluctuation relations for the derived properties of nonequilibrium steady states, such as the compressibilities and specific heats.作者: GIST 時(shí)間: 2025-3-22 08:21 作者: 舊石器 時(shí)間: 2025-3-22 11:55
Hiroaki Miyoshi,Masayoshi Tanishitafunction is controlled by the structural arrangement and motions of chemically labile groups. Thus, the detailed investigation of the motions and structure of a single protein molecule is of importance in understanding the reactive nature of protein chemistry.作者: judicial 時(shí)間: 2025-3-22 13:36 作者: judicial 時(shí)間: 2025-3-22 21:08
Molecular Simulations of Protein Structure, Dynamics and Thermodynamics,function is controlled by the structural arrangement and motions of chemically labile groups. Thus, the detailed investigation of the motions and structure of a single protein molecule is of importance in understanding the reactive nature of protein chemistry.作者: 平項(xiàng)山 時(shí)間: 2025-3-23 00:18 作者: Alcove 時(shí)間: 2025-3-23 03:40 作者: cogent 時(shí)間: 2025-3-23 06:52 作者: CALL 時(shí)間: 2025-3-23 11:43
Molecular Dynamics,een used to resolve theoretical controversies, provide data to test theories, and occasionally to discover new phenomena. The emphasis is on the application of molecular dynamics to an understanding of the microscopic physics underlying the transport properties of simple fluids.作者: 離開真充足 時(shí)間: 2025-3-23 16:57
Monte Carlo Simulations,ds and solids. In these notes, the Metropolis sampling scheme is introduced as a special case of importance sampling. The choice of the optimum trial move is discussed, as are the problems encountered when sampling orientational and internal degrees of freedom. After introducing the MC method as a t作者: accordance 時(shí)間: 2025-3-23 18:47 作者: 光滑 時(shí)間: 2025-3-24 01:26 作者: muscle-fibers 時(shí)間: 2025-3-24 04:43
The Method of Constraints: Application to a Simple N-Alkane Model,ough rigid bonds. The model considers explicitly the CCC bendings and the torsional vibrations around the CC bonds. Such alkane model, representative of most models used in chain molecules molecular dynamics simulations, helps us to illustrate the method of constraints presented otherwise in its gen作者: neurologist 時(shí)間: 2025-3-24 10:19
Molecular Dynamics of Chain Molecules,set of interaction potentials for such systems are discussed; the Hamiltonian for such systems involves two three and four-body intramolecular terms which define the flexibility of the molecule and although one or more of these can, if necessary, be eliminated by using constraints ultimately the cho作者: FILTH 時(shí)間: 2025-3-24 11:16
Computer Modelling of Oxide Surfaces and Interfaces,mputer simulation techniques. The wide range of applications of these methods on surfaces and grain boundaries has recently been reviewed by Mackrodt [1]. Much of this work has been confined to the cubic rocksalt oxides MgO, CaO and NiO [2,3], and only recently has been extended to more complicated 作者: extract 時(shí)間: 2025-3-24 17:41 作者: ANNUL 時(shí)間: 2025-3-24 20:48 作者: STEER 時(shí)間: 2025-3-24 23:12 作者: lymphedema 時(shí)間: 2025-3-25 07:24
Simulation of Plastic Crystals,mpounds have a high temperature phase, just below the melting point where the vapour pressure is relatively high and the deformation is easy. These plastic phases are highly symmetric, generally cubic and at some transition temperature, below the melting point, they transform to another crystalline 作者: 恃強(qiáng)凌弱 時(shí)間: 2025-3-25 09:32
Molecular Dynamics Simulations of Aqueous Systems,een collected over the last hundred years because of their importance in chemistry and biology, but they are still too complicated for treatment by an analytical theory. Therefore, it is no surprise that shortly after the first successful simulation of pure water by Rahman and Stillinger [1] a first作者: 不如屎殼郎 時(shí)間: 2025-3-25 14:10 作者: 按時(shí)間順序 時(shí)間: 2025-3-25 18:35
Computer Modelling of the Structure and Thermodynamic Properties of Silicate Minerals,his is of particular importance as mass transport deep in the Earth’s Mantle, and ultimately plate motion, will be governed by the behaviour of the component minerals. Hence a detailed understanding of their thermodynamic and kinetic properties under extreme pressures and temperatures will aid in ou作者: 凈禮 時(shí)間: 2025-3-25 21:58 作者: legitimate 時(shí)間: 2025-3-26 03:57
Control Theory of Technological Economye-site formalism, by the use of an ab initio based distributed multipole model. We show how empirical anisotropic site-site potentials have been used to great effect in a Molecular Dynamics simulation of liquid chlorine and Monte Carlo simulations of three condensed phases of benzene. Thus we can ex作者: NAIVE 時(shí)間: 2025-3-26 06:47
Theory of Technological Economy Factors to the study of phase transitions. Although the emphasis is on first-order transitions, a few remarks are made about the technical problems posed by continuous phase transitions. We end with a discussion of the relative merits of Monte Carlo and Molecular Dynamics simulations.作者: 健壯 時(shí)間: 2025-3-26 09:48
Control Theory of Technological Economy and the radial distribution function. In the application of path-integral techniques to systems like liquid helium, the inclusion of quantum exchange is crucial, and we indicate how this can be achieved. We then illustrate the use of the technique by describing simulations that have been performed 作者: perimenopause 時(shí)間: 2025-3-26 16:36
Theory of the Technological Economy Entitytly illustrated for the trimer case (propane with two rigid bonds and a flexible angle). For long chain molecules, the need of an iterative technique which treats constraints individually in succession (SHAKE method) will particularly be emphasised. The paper ends with some considerations on the cou作者: CHASE 時(shí)間: 2025-3-26 19:57 作者: 暗語(yǔ) 時(shí)間: 2025-3-26 22:47
Effect Theory of the Technological Economy8]. A comprehensive knowledge of the effects of impurity level concentrations on behaviour is therefore of critical importance in the design and implementation of technologically important materials and processes. The advent and improvement of surface sensitive optical techniques such as AES, SEM an作者: Ibd810 時(shí)間: 2025-3-27 01:25 作者: 承認(rèn) 時(shí)間: 2025-3-27 07:15 作者: 耕種 時(shí)間: 2025-3-27 09:49 作者: Obstruction 時(shí)間: 2025-3-27 16:13
https://doi.org/10.1007/978-981-15-7281-4, and finally another magnesium silicate mineral which is believed to have the perovskite structure forms the bulk of the Lower Mantle. These assignments are not unambiguous however but recent work using X-ray diffraction techniques with high pressure diamond anvil cells [1] is making progress in el作者: OFF 時(shí)間: 2025-3-27 21:38
1389-2185 apters of the book are devoted mainly to techniques and the later ones to recent simulation studies of fluids, polymers (including biological molecules) and sol978-94-010-7621-0978-94-009-2484-0Series ISSN 1389-2185 作者: 流動(dòng)才波動(dòng) 時(shí)間: 2025-3-28 01:37 作者: lambaste 時(shí)間: 2025-3-28 04:06 作者: 夸張 時(shí)間: 2025-3-28 06:52
The Path-Integral Simulation of Quantum Systems, and the radial distribution function. In the application of path-integral techniques to systems like liquid helium, the inclusion of quantum exchange is crucial, and we indicate how this can be achieved. We then illustrate the use of the technique by describing simulations that have been performed 作者: Hectic 時(shí)間: 2025-3-28 11:04
The Method of Constraints: Application to a Simple N-Alkane Model,tly illustrated for the trimer case (propane with two rigid bonds and a flexible angle). For long chain molecules, the need of an iterative technique which treats constraints individually in succession (SHAKE method) will particularly be emphasised. The paper ends with some considerations on the cou作者: 痛苦一生 時(shí)間: 2025-3-28 18:27
Molecular Dynamics of Chain Molecules,or small molecules and also the ways in which molecular flexibility can directly influence transport properties. The need to ensure the attainment of equilibrium in such systems where there are slowly relaxing degrees of freedom will be emphasised.作者: Jacket 時(shí)間: 2025-3-28 21:28
Computer Modelling of Oxide Surfaces and Interfaces,8]. A comprehensive knowledge of the effects of impurity level concentrations on behaviour is therefore of critical importance in the design and implementation of technologically important materials and processes. The advent and improvement of surface sensitive optical techniques such as AES, SEM an作者: 演講 時(shí)間: 2025-3-29 00:16 作者: Harridan 時(shí)間: 2025-3-29 06:29 作者: 詢問(wèn) 時(shí)間: 2025-3-29 10:24
Simulation of Plastic Crystals,ammonium, sulphate and cyanide. On the microscopic scale the molecular motion is very similar to the one observed in plastic crystals. The essential difference is that the molecular ions are rotating within the monatomic crystal lattice of the second ion species.作者: deface 時(shí)間: 2025-3-29 11:57 作者: dandruff 時(shí)間: 2025-3-29 15:55
Computer Modelling of Fluids Polymers and Solids978-94-009-2484-0Series ISSN 1389-2185 作者: 討好女人 時(shí)間: 2025-3-29 20:12 作者: Anguish 時(shí)間: 2025-3-30 01:36
Effect Theory of the Technological Economyeen used to resolve theoretical controversies, provide data to test theories, and occasionally to discover new phenomena. The emphasis is on the application of molecular dynamics to an understanding of the microscopic physics underlying the transport properties of simple fluids.
