Antimicrobial
发表于 2025-3-23 10:16:03
Methods in Reaction Dynamics978-3-642-56511-3Series ISSN 0342-4901 Series E-ISSN 2192-6603
exostosis
发表于 2025-3-23 14:37:28
Quantum reactive scattering: the time-independent approach. I. Principles and early developments,An introduction to the field of time-independent quantum reactive scattering is given, focussing on triatomic (A+BC) systems. Concepts of elastic, inelastic and reactive scattering as well as coordinate systems are discussed and the developments are outlined which led to the first numerically exact calculations for H+H..
Alpha-Cells
发表于 2025-3-23 20:41:30
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Abrupt
发表于 2025-3-23 23:31:10
The Reaction Path Method for Chemical Reactions,The reaction path method is a selfcontained approximate theory which allows an analysis of complex chemical reactions and the calculation of state resolved reaction rate-constants using information on gradients and hessians of the nuclear potential energy surface.
心神不宁
发表于 2025-3-24 04:05:21
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农学
发表于 2025-3-24 09:05:39
Werner JakubetzIn-depth reviews on computational methods in reaction dynamics.Some topics have never been reviewed in detail before.Includes supplementary material:
craving
发表于 2025-3-24 13:35:59
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圆锥
发表于 2025-3-24 16:03:57
Time dependent quantum theory of reactive molecular collisions,on propagating a prepared wavepacket forward in time using the time dependent Schrödinger equation. The advantages of the theory lie in the fact that a single time dependent propagation of the wavepacket provides the cross sections over a wide range of energies.
affect
发表于 2025-3-24 19:26:08
0342-4901 omputational reaction dynamics and kinetics; time-dependent, time-independent and mixed quantum-classical techniques. Some of the topics have not been reviewed before in detail.978-3-540-41487-2978-3-642-56511-3Series ISSN 0342-4901 Series E-ISSN 2192-6603
faultfinder
发表于 2025-3-25 02:09:01
Reaction Rates,constants are introduced and efficient methods for the description of larger systems are described. Applications are presented for several systems highlighting different aspects of reaction rate calculations. For these examples, different types of approximations are described and discussed.