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发表于 2025-3-21 16:09:51 | 显示全部楼层 |阅读模式
书目名称Gregory S. Ezra
编辑Srihari Keshavamurthy,Stephen Wiggins
视频video
丛书名称Highlights in Theoretical Chemistry
图书封面Titlebook: ;
出版日期Book 2015
版次1
doihttps://doi.org/10.1007/978-3-662-47377-1
isbn_softcover978-3-662-51668-3
isbn_ebook978-3-662-47377-1Series ISSN 2194-8666 Series E-ISSN 2194-8674
issn_series 2194-8666
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发表于 2025-3-21 22:42:40 | 显示全部楼层
A semiclassical adiabatic calculation of state densities for molecules exhibiting torsion: applicatmechanically. The method is also formulated for reactive problems in which the density of states is parameterized by a second large amplitude degree of freedom, the reaction coordinate. The performance of the method is assessed using the dissociation reaction of the hydrogen peroxide molecule and it
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,Vibrational energy flow across heme–cytochrome , and cytochrome ,–water interfaces,gated Fe-porphyrin system that constitutes the core of the heme–histidine complex. The ergodic threshold, which we calculate quantum mechanically, corresponds to a temperature of about 140 K. We also address the flow of excess vibrational energy from the protein to the solvent. We calculate the ther
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发表于 2025-3-22 17:58:04 | 显示全部楼层
Computer simulation of quantum dynamics in a classical spin environment,metric Trotter factorization of the classical-like spin propagator are derived. Such algorithms are applied to a model comprising a quantum two-level system coupled to a single classical spin in an external magnetic field. Starting from an excited state, the population difference and the coherences
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发表于 2025-3-23 02:46:39 | 显示全部楼层
,OP-Anwendungen in Stromversorgungsgeräten,mechanically. The method is also formulated for reactive problems in which the density of states is parameterized by a second large amplitude degree of freedom, the reaction coordinate. The performance of the method is assessed using the dissociation reaction of the hydrogen peroxide molecule and it
发表于 2025-3-23 05:51:54 | 显示全部楼层
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