Insensate
发表于 2025-3-30 08:59:11
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:
Spinal-Fusion
发表于 2025-3-30 12:57:44
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.
修正案
发表于 2025-3-30 19:50:03
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.
冰河期
发表于 2025-3-30 23:19:08
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DAUNT
发表于 2025-3-31 00:51:04
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doxazosin
发表于 2025-3-31 06:20:12
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.
abject
发表于 2025-3-31 11:32:09
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
aspect
发表于 2025-3-31 16:25:28
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phase-2-enzyme
发表于 2025-3-31 21:26:09
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
物质
发表于 2025-3-31 22:44:37
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