Molecular Dynamics and Theoretical Chemistry.

机译：分子动力学与理论化学。

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Berman, M. R.;
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年度 2013
页码 1-29
总页数 29
原文格式 PDF
正文语种 eng
中图分类工业技术;
关键词
Molecular dynamics; Air force research; Catalysis; Catalysts; Energy storage; Energy transfer; Liquid rocket propellants; Molecular properties; Molecules; Nanostructures; Plasmons;

机译：分子动力学;空军研究;催化;催化剂;能量储存;能量转移;液体火箭推进剂;分子特性;分子;纳米结构;等离子体;

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1. Theoretical group 14 chemistry. Part 2. Si_4R_6: a theoretical approach [J] . Rainer Koch, Torsten Bruhn, Manfred Weidenbruch Journal of Molecular Structure. Theochem: Applications of Theoretical Chemistry to Organic, Inorganic and Biological Problems . 2004,第1a3期

机译：理论组14化学。第2部分。Si_4R_6：理论方法
2. Quantum Molecular Dynamics, Topological, Group Theoretical and Graph Theoretical Studies of Protein-Protein Interactions [J] . Balasubramanian Krishnan, Gupta Satya P. Nature reviews Cancer . 2019,第6期

机译：蛋白质 - 蛋白质相互作用的量子分子动力学，拓扑，群体理论和图表理论研究
3. Quantum Molecular Dynamics, Topological, Group Theoretical and Graph Theoretical Studies of Protein-Protein Interactions [J] . Balasubramanian Krishnan, Gupta Satya P. Current topics in medicinal chemistry . 2019,第6期

机译：蛋白质 - 蛋白质相互作用的量子分子动力学，拓扑，群体理论和图论研究
4. THEORETICAL DEVELOPMENT OF PREDICTED ITERATION METHOD FOR CONSIDERING ELECTRON DYNAMICS IN QUANTUM MOLECULAR DYNAMICS [C] . Kentaro Doi, Satoyuki Kawano ASME/JSME/KSME Joint Fluids Engineering Conference;AJK2011 . 2012

机译：量子分子动力学中考虑电子动力学的预测迭代方法的理论发展
5. Theoretical studies of molecular vibrational spectra, OLED materials and carbon nanotube confined chemistry. [D] . Halls, Mathew David. 2001

机译：分子振动光谱，OLED材料和碳纳米管密闭化学的理论研究。
6. Theoretical Studies on the Selectivity Mechanisms of Glycogen Synthase Kinase 3β (GSK3β) with Pyrazine ATP-competitive Inhibitors by 3D-QSAR Molecular Docking Molecular Dynamics Simulation and Free Energy Calculations [O] . Jingyu Zhu, Yuanqing Wu, Lei Xu, -1

机译：糖原合酶激酶3β（PSK）与吡嗪ATP竞争抑制剂的选择性机理的3D-QSAR理论研究分子对接分子动力学模拟和自由能计算
7. Designing Of Lectures through Systemic Approach to Teaching and Learning, a Model for (SATL) MethodologyConcepts play a vital role in enabling chemist to deliver. The recently developing concept based teaching methods are likely to play a pivotal role towards the efforts for promoting understanding of chemical concepts and assimilation of vital theoretical foundations of chemistry. A. F. M. Fahmy and J. J. Lagowski are the leading figures in a worldwide derive towards concept building of young generation through this novel mode of teaching and learning. However, their efforts, till recently have been mostly organic chemistry specific. Nevertheless, SALTC teaching methods are equally applicable to various other disciplines in chemistry. SATLC methodology can also be thus used to overcome the problems faced by students in understanding the efficacy of any chemical entity for a specific and desired chemical action. This presentation outlines possible applications of SATLC technique to the concepts related to a number of aspects of Physical Chemistry that are to be put together in one unit for facilitating a chemical compound’s application in any chemical change desired by any researcher. [O] . *M. Nazir, I. I. Naqvi 2012

机译：通过系统的教学方法设计讲座，（saTL）方法论概念概念在使化学家能够实现方面发挥着至关重要的作用。最近开发的基于概念的教学方法可能在促进理解化学概念和吸收化学重要理论基础的努力中发挥关键作用。 a. F. m. Fahmy和J. J. Lagowski是世界范围内通过这种新颖的教学模式建立年轻一代概念的主要人物。然而，他们的努力，直到最近已经大多是有机化学特定的。然而，saLTC教学方法同样适用于化学中的其他各个学科。因此，saTLC方法也可用于克服学生在理解任何化学实体对特定和所需化学作用的功效方面所面临的问题。本演示文稿概述了saTLC技术可能应用于与物理化学的许多方面相关的概念，这些概念将被整合在一个单元中，以促进化合物在任何研究人员所需的任何化学变化中的应用。
8. Applications of Molecular Dynamics to the Study of Shock-Induced Chemistry. [R] . Oran, E. S. 1984

机译：分子动力学在冲击诱导化学研究中的应用。

Molecular Dynamics and Theoretical Chemistry.

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