標(biāo)題: Titlebook: Reaction and Molecular Dynamics; Proceedings of the E Antonio Laganà,Antonio Riganelli Conference proceedings 2000 Springer-Verlag Berlin H [打印本頁(yè)] 作者: FETID 時(shí)間: 2025-3-21 17:36
書(shū)目名稱(chēng)Reaction and Molecular Dynamics影響因子(影響力)
書(shū)目名稱(chēng)Reaction and Molecular Dynamics影響因子(影響力)學(xué)科排名
書(shū)目名稱(chēng)Reaction and Molecular Dynamics網(wǎng)絡(luò)公開(kāi)度
書(shū)目名稱(chēng)Reaction and Molecular Dynamics網(wǎng)絡(luò)公開(kāi)度學(xué)科排名
書(shū)目名稱(chēng)Reaction and Molecular Dynamics被引頻次
書(shū)目名稱(chēng)Reaction and Molecular Dynamics被引頻次學(xué)科排名
書(shū)目名稱(chēng)Reaction and Molecular Dynamics年度引用
書(shū)目名稱(chēng)Reaction and Molecular Dynamics年度引用學(xué)科排名
書(shū)目名稱(chēng)Reaction and Molecular Dynamics讀者反饋
書(shū)目名稱(chēng)Reaction and Molecular Dynamics讀者反饋學(xué)科排名
作者: Admonish 時(shí)間: 2025-3-21 22:40 作者: 轎車(chē) 時(shí)間: 2025-3-22 04:13
Fitting Potential Energy Surfacesfitting and spline, Morse-spline, rotated Morse-spline, and reproducing kernel Hilbert space interpolation methods. The local methods include Shepard and moving least squares interpolation. Examples of the application of these methods to several triatomic reactive surfaces are discussed.作者: 散開(kāi) 時(shí)間: 2025-3-22 05:50 作者: Aggrandize 時(shí)間: 2025-3-22 09:49 作者: Efflorescent 時(shí)間: 2025-3-22 13:15
Tutorial on Fitting of Potential Energy Surfacesnergy surfaces. In the third exercise the many-body expansion method is three-dimensional PES fora non-symmetric three-atom reaction. The applied tofita last exercise illustrates the useof bond order coordinatesto represent and develop potential energy functions. It also explains theconcept of many-process expansion.作者: 臭了生氣 時(shí)間: 2025-3-22 20:54
Multivalued Potential Energy Surfaces for Dynamics Studiesmple scheme to give spectroscopic accuracy to such functions is also highlighted. The focus is on methodological aspects although the case of H. is examined in detail. The complications in the computational treatment of nuclear dynamics in the adiabatic state basis through the geometric phase effect are also briefly addressed.作者: parasite 時(shí)間: 2025-3-22 22:18
Approximate Time Independent Methods for Polyatomic Reactionsery recent developments of it. These new developments are reviewed for the OH + H.reaction, where apparent discrepancies between coupled-states and standard .-shifting rate constants are resolved. I also present new expressions in the spirit of .-shifting for reactions that proceed via complex formation.作者: 我悲傷 時(shí)間: 2025-3-23 03:59 作者: Musket 時(shí)間: 2025-3-23 09:05
Computational Reaction and Molecular Dynamics: from Simple Systems and Rigorous Methods to Large Syst has to be followed to design related computational procedures for a realistic modeling of chemical applications. The role played by innovative architectural trends of modern computing and by the impressive development of networking and hypermedia are also considered.作者: rectum 時(shí)間: 2025-3-23 11:11 作者: Emasculate 時(shí)間: 2025-3-23 17:05
Multivalued Potential Energy Surfaces for Dynamics Studieselling of potential energy surfaces for dynamics studies with emphasis on the double many-body expansion method for multivalued global functions. A simple scheme to give spectroscopic accuracy to such functions is also highlighted. The focus is on methodological aspects although the case of H. is ex作者: 一夫一妻制 時(shí)間: 2025-3-23 20:27 作者: –FER 時(shí)間: 2025-3-24 01:04 作者: AIL 時(shí)間: 2025-3-24 05:51 作者: consent 時(shí)間: 2025-3-24 09:04 作者: 責(zé)問(wèn) 時(shí)間: 2025-3-24 11:48
CAS-SCF and MM-VB Dynamics: Applications to Organic Photochemistrystate processes one must deal with the non-adiabatic event where the trajectory passes from the excited state to the ground state. For this we have implemented (in CAS-SCF and in our MM-VB method) a surface hop type algorithm as well as a method where the trajectory propagates on a mixed state. Inve作者: 迷住 時(shí)間: 2025-3-24 15:47
Parallel Paradigms for Scientific Computingultidisciplinary applications, performance portability, rapid prototyping and software reuse, integration and interoperability of standard tools. The various issues will be demonstrated with reference to the PQE2000 project and its programming environment . (Skeleton-based Integrated Environment). T作者: concubine 時(shí)間: 2025-3-24 21:28 作者: Rankle 時(shí)間: 2025-3-25 00:34
The exact Computation of Reactive Cross Sections for Atom-Diatom Systems. The Hyperspherical Propagad and discussed, focusing on the time-independent hyperspherical-propagative approach. The general trends of the formalism, that allows a complete scattering calculation for a reactive process, is presented first. Then, the discussion is divided into four additional parts. The first one briefly disc作者: 荒唐 時(shí)間: 2025-3-25 04:17 作者: 沙草紙 時(shí)間: 2025-3-25 11:05
0342-4901 s to proceed from rigorous theoretical methods to approximate ones by exploiting the potential of innovative architectural features of modern concurrent processors. This book reviews some of the most advanced theoretical approaches in the field of molecular reaction dynamics in order to cope as rigo作者: agonist 時(shí)間: 2025-3-25 13:27 作者: sclera 時(shí)間: 2025-3-25 16:28
Antonio Laganà,Antonio Riganelli), the discovery of social networks in a process context becomes truly scalable. The approach has been implemented using the open source process mining toolkit ProM. The experiments reported in this paper demonstrate scalability while providing results instantly.作者: Additive 時(shí)間: 2025-3-25 23:53
), the discovery of social networks in a process context becomes truly scalable. The approach has been implemented using the open source process mining toolkit ProM. The experiments reported in this paper demonstrate scalability while providing results instantly.作者: 填料 時(shí)間: 2025-3-26 03:04
George C. Schatz), the discovery of social networks in a process context becomes truly scalable. The approach has been implemented using the open source process mining toolkit ProM. The experiments reported in this paper demonstrate scalability while providing results instantly.作者: 天文臺(tái) 時(shí)間: 2025-3-26 04:32 作者: Alveolar-Bone 時(shí)間: 2025-3-26 10:42
David K. Hoffman,Donald J. Kouri), the discovery of social networks in a process context becomes truly scalable. The approach has been implemented using the open source process mining toolkit ProM. The experiments reported in this paper demonstrate scalability while providing results instantly.作者: 軍械庫(kù) 時(shí)間: 2025-3-26 15:33
Gabriel G. Balint-Kurtie leading counties were affected differently by them. The analysis covers the entire kingdom, decade by decade, and thereby contributes to the controversy whether over-population or shortage of coin most inhibited its development.??.978-3-030-07974-1978-3-319-90251-7Series ISSN 2662-5164 Series E-ISSN 2662-5172 作者: 心胸開(kāi)闊 時(shí)間: 2025-3-26 16:57
Gregory A. Parker,Stefano Crocchianti,Mark Keile leading counties were affected differently by them. The analysis covers the entire kingdom, decade by decade, and thereby contributes to the controversy whether over-population or shortage of coin most inhibited its development.??.978-3-030-07974-1978-3-319-90251-7Series ISSN 2662-5164 Series E-ISSN 2662-5172 作者: 朦朧 時(shí)間: 2025-3-26 23:08
Joel M. Bowman state commercial and economic publications recounting best practices and pitfalls to be avoided. Wholesalers developed market relations outside official channels and “unlicensed” traders multiplied to the extent that fears of “spontaneous capitalism” mounted among Maoist cadre, revealing fracture p作者: Oafishness 時(shí)間: 2025-3-27 03:46 作者: 工作 時(shí)間: 2025-3-27 07:36 作者: catagen 時(shí)間: 2025-3-27 09:49
Michael A. Robb,Marco Garavelli privately arranging inspection and transport. So too did urban retailers being contacting, for example, shoe factories to design, fabricate, and deliver footwear to order, while at the same time striving to improve customer service through staff classes studying Mao’s essays. To leading Maoists, th作者: 神化怪物 時(shí)間: 2025-3-27 14:11 作者: gusher 時(shí)間: 2025-3-27 20:12 作者: Deference 時(shí)間: 2025-3-28 00:20 作者: 矛盾心理 時(shí)間: 2025-3-28 04:45
Ernesto Garciandigenous innovation. As a result, China’s?National Innovation System?has been growing and strengthening at a pace much faster than that of the national economy as a whole. The book also presents a speculative and provisional perspective on the validity, and meaning, of the claim that the country’s 作者: Graves’-disease 時(shí)間: 2025-3-28 09:02
Aldo Gambaauszusch?pfen. Das Buch richtet sich vorwiegend an IT-Manager, Enterprise-Architekten und Manager im Umfeld von gr??eren Softwareentwicklungsprozessen..Viele praxisnahe Beispiele veranschaulichen die theoretisch dargestellten Zusammenh?nge und er?ffnen einen breiteren Zugang zum Enterprise-Architektur-Management..978-3-658-43593-6978-3-658-43594-3作者: 友好 時(shí)間: 2025-3-28 13:24
Marco Vanneschiauszusch?pfen. Das Buch richtet sich vorwiegend an IT-Manager, Enterprise-Architekten und Manager im Umfeld von gr??eren Softwareentwicklungsprozessen..Viele praxisnahe Beispiele veranschaulichen die theoretisch dargestellten Zusammenh?nge und er?ffnen einen breiteren Zugang zum Enterprise-Architektur-Management..978-3-658-43593-6978-3-658-43594-3作者: 冰河期 時(shí)間: 2025-3-28 17:10 作者: 小爭(zhēng)吵 時(shí)間: 2025-3-28 19:25 作者: Heresy 時(shí)間: 2025-3-29 02:38
Distributed Approximating Functionals: a Robust, New Approach to Computational Chemistry and Physicsences”. The theory will be illustrated in terms of the DAF that results from choosing Hermite polynomials as the expansion basis. The properties of these DAFs will be explicated by considering their structure both in coordinate space and in Fourier space. Of greatest importance is the so-called “wel作者: hermitage 時(shí)間: 2025-3-29 05:07 作者: 釘牢 時(shí)間: 2025-3-29 07:59
Computational Reaction and Molecular Dynamics: from Simple Systems and Rigorous Methods to Large Syst has to be followed to design related computational procedures for a realistic modeling of chemical applications. The role played by innovative architectural trends of modern computing and by the impressive development of networking and hypermedia are also considered.作者: Junction 時(shí)間: 2025-3-29 12:45
Conference proceedings 2000ed from rigorous theoretical methods to approximate ones by exploiting the potential of innovative architectural features of modern concurrent processors. This book reviews some of the most advanced theoretical approaches in the field of molecular reaction dynamics in order to cope as rigorously as possible with the complexity of real systems.作者: Between 時(shí)間: 2025-3-29 17:35 作者: insidious 時(shí)間: 2025-3-29 19:57
https://doi.org/10.1007/978-3-642-57051-3Atom; Chemische Reaktionen; Computational chemistry; Computerchemie; Moleküldynamik; Potential; chemical r作者: Rotator-Cuff 時(shí)間: 2025-3-29 23:57
978-3-540-41202-1Springer-Verlag Berlin Heidelberg 2000作者: 朦朧 時(shí)間: 2025-3-30 08:00 作者: Insensate 時(shí)間: 2025-3-30 08:59
Time Dependent Quantum Approaches to Chemical ReactivityTime dependent approaches to quantum reactive scattering are becoming increasingly popular. Here we give a description of basic equations and technical aspects of numerical implementations. More in detail we discuss the following arguments:作者: Spinal-Fusion 時(shí)間: 2025-3-30 12:57
Quantum-Classical MethodsTheoretical foundations of Quantum-classical theories to incorporate quantum effects in molecular dynamics calculations are discussed to give a more solid ground for their applications to many degrees of freedom study of chemical reactions.作者: 修正案 時(shí)間: 2025-3-30 19:50
Ab-Initio MD Calculations on Dynamics and Reactivity in Confined and Disordered SystemsThe subject of this lecture is an application of the Car-Parrinello method to a computational investigation of the properties of zeolites. The use of advanced computational methods has become, in fact, an important surrogate of the experiment for several inaccessible information.作者: 冰河期 時(shí)間: 2025-3-30 23:19 作者: DAUNT 時(shí)間: 2025-3-31 00:51 作者: doxazosin 時(shí)間: 2025-3-31 06:20
A Quasiclassical Trajectory Study of Atom Diatom ReactionsThe tutorial tackles the problem of calculating scattering properties of atom diatomreactions and analyzes the accuracyofintegratedtrajectories,their graphical representations and the agreement between measured and calculated quantities by making reference to the Li + HF reaction.作者: abject 時(shí)間: 2025-3-31 11:32
rocess and information systems modeling: the 18.th. International Conference on Business Process Modeling, Development and Support, BPMDS 2017, and the 22.nd. International Conference on Evaluation and Modeling Methods for Systems Analysis and Development, EMMSAD, 2017. They took place in Essen, Ger作者: aspect 時(shí)間: 2025-3-31 16:25 作者: phase-2-enzyme 時(shí)間: 2025-3-31 21:26
sights into the way people work and collaborate. In this paper, we focus on discovering social networks from event data. To be able to deal with large data sets or with an environment which requires repetitive discoveries during the analysis, and still provide results instantly, we use an approach w作者: 物質(zhì) 時(shí)間: 2025-3-31 22:44
