U.S.-Czech Chemistry Research on Ultrafast Dynamics and Spectroscopy in Large Molecular Clusters
美国-捷克大分子团超快动力学和光谱学化学研究
基本信息
- 批准号:9531458
- 负责人:
- 金额:$ 1.71万
- 依托单位:
- 依托单位国家:美国
- 项目类别:Standard Grant
- 财政年份:1996
- 资助国家:美国
- 起止时间:1996-05-15 至 1999-04-30
- 项目状态:已结题
- 来源:
- 关键词:
项目摘要
INT 9531458 Gerber This U.S.-Czech research project between R. Benny Gerber of the University of California, Irvine, and Pavel Jungwirth of the Heyrovsky Institute of Physical Chemistry, Prague, will examine the chemical dynamics of many-body systems for the purpose of characterizing systems such as those in van der Walls and hydrogen bonded clusters. The intent is to employ the strengths in quantum dynamics of the U.S. participants and those of the Prague group in electronic structure calculations to study three specific topics: 1) Spectroscopy and dynamics of photodissociation, quenching and recombination of iodine embedded in large argon clusters; 2) the dynamics of a chlorine atom in water following electron photodetachment from hydrated chloride ions; and 3) Raman spectra and hydrogen atom dynamics in photoexcited hydrogen bonded clusters. Results are expected to contribute to our basic knowledge of molecular clusters and related condensed phase phenomena. This project in theoretical physical chemistry fulfills the program objective of advancing scientific knowledge by enabling leading experts in the United States and Eastern Europe to combine complementary talents and pool research resources in areas of mutual interest and competence. ??
INT 9531458 Gerber这个由美国加州大学欧文分校的R.Benny Gerber和布拉格海罗夫斯基物理化学研究所的Pavel Jungwirth共同开展的美国-捷克研究项目,将研究多体系统的化学动力学,目的是表征范德墙和氢键团簇中的系统。其目的是利用美国参与者和布拉格小组在电子结构计算中的量子动力学优势来研究三个具体主题:1)嵌入大的Ar团簇中的碘的光解离、猝灭和复合的光谱和动力学;2)水中氯原子在电子从水合氯离子中光剥离后的动力学;以及3)光激发氢键团簇中的拉曼光谱和氢原子动力学。这些结果有望有助于我们对分子团簇和相关凝聚相现象的基本知识。这个理论物理化学项目通过使美国和东欧的顶尖专家能够将互补的人才结合在一起,并在共同感兴趣和能力的领域汇集研究资源,实现了促进科学知识的计划目标。??
项目成果
期刊论文数量(0)
专著数量(0)
科研奖励数量(0)
会议论文数量(0)
专利数量(0)
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R. Benny Gerber其他文献
Absorption spectra and aqueous photochemistry of β-hydroxyalkyl nitrates of atmospheric interest
大气中感兴趣的β-羟烷基硝酸酯的吸收光谱和水相光化学
- DOI:
- 发表时间:
2015 - 期刊:
- 影响因子:0
- 作者:
Dian E. Romonosky;Lucas Q Nguyen;D. Shemesh;Tran B. Nguyen;S. Epstein;David B.C. Martin;C. Vanderwal;R. Benny Gerber;S. Nizkorodov - 通讯作者:
S. Nizkorodov
Ion reactions in atmospherically-relevant clusters: mechanisms, dynamics and spectroscopic signatures.
大气相关簇中的离子反应:机制、动力学和光谱特征。
- DOI:
10.1039/c8fd00230d - 发表时间:
2019 - 期刊:
- 影响因子:3.4
- 作者:
Natalia V. Karimova;Laura M. McCaslin;R. Benny Gerber - 通讯作者:
R. Benny Gerber
Hybrid MP2/MP4 potential surfaces in VSCF calculations of IR spectra: applications for organic molecules.
IR 光谱 VSCF 计算中的混合 MP2/MP4 势面:有机分子的应用。
- DOI:
- 发表时间:
2014 - 期刊:
- 影响因子:0
- 作者:
Roie Knaanie;J. Sebek;J. Kalinowski;R. Benny Gerber - 通讯作者:
R. Benny Gerber
A new hybrid algorithm for finding the lowest minima of potential surfaces: Approach and application to peptides
一种用于寻找潜在表面最低最小值的新混合算法:肽的方法和应用
- DOI:
10.1002/jcc.21755 - 发表时间:
2011 - 期刊:
- 影响因子:3
- 作者:
M. Goldstein;E. Fredj;R. Benny Gerber - 通讯作者:
R. Benny Gerber
Hydration of cellobiose: Structure and dynamics of cellobiose –(H<sub>2</sub>O)<em><sub>n</sub></em>, <em>n</em> = 5–25
- DOI:
10.1016/j.cplett.2012.02.019 - 发表时间:
2012-04-02 - 期刊:
- 影响因子:
- 作者:
Madeleine Pincu;R. Benny Gerber - 通讯作者:
R. Benny Gerber
R. Benny Gerber的其他文献
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{{ truncateString('R. Benny Gerber', 18)}}的其他基金
Formation Dynamics and Spectroscopy of Novel Rare-Gas Atom Containing Molecules
新型含稀有气体原子分子的形成动力学和光谱学
- 批准号:
0101199 - 财政年份:2001
- 资助金额:
$ 1.71万 - 项目类别:
Continuing Grant
Dynamics of Molecular Reactions in Clusters
簇中分子反应动力学
- 批准号:
9503258 - 财政年份:1995
- 资助金额:
$ 1.71万 - 项目类别:
Continuing Grant
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