Magic and Antimagic Protonated Water Clusters: Exotic Structures with Unusual Dynamic Effects

N.Jiten Singh; Kwang S.Kim; Seung Bum Suh; Seung Kyu Min; Mina Park

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Magic and Antimagic Protonated Water Clusters: Exotic Structures with Unusual Dynamic Effects

机译：魔术和反魔术质子化水簇：具有异常动态效果的奇异结构

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Protonated water species are key elements in dissociation and transport phenomena in aqueous chemistry and biological systems.The investigation of protonated clusters [H(H2O)n]+ is essential to understand the nature of protons in nanosized water droplets.

机译：质子化的水物种是水化学和生物系统中解离和迁移现象的关键元素。对质子化簇[H（H2O）n] +的研究对于了解纳米水滴中质子的性质至关重要。

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《Angewandte Chemie》 |2006年第23期|共6页
作者
N.Jiten Singh; Kwang S.Kim; Seung Bum Suh; Seung Kyu Min; Mina Park;
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正文语种 eng
中图分类应用化学;
关键词
cluster compounds; density functional calculations; molecular dynamics; vibrational spectroscopy; water chemistry;

机译：团簇化合物;密度泛函计算;分子动力学;振动光谱;水化学;

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1. Magic and Antimagic Protonated Water Clusters: Exotic Structures with Unusual Dynamic Effects [J] . N.Jiten Singh, Kwang S.Kim, Seung Bum Suh, Angewandte Chemie . 2006,第23期

机译：魔术和反魔术质子化水簇：具有异常动态效果的奇异结构
2. Further analysis of the dynamically averaged vibrational spectrum for the "magic" protonated 21-water cluster [J] . Srinivasan S. Iyengar The Journal of Chemical Physics . 2007,第21期

机译：对“魔术”质子化21水团簇的动态平均振动谱的进一步分析
3. "On-the-fly'' coupled cluster path-integral molecular dynamics: impact of nuclear quantum effects on the protonated water dimer (vol 17, pg 14355, 2015) [J] . Spura Thomas, Elgabarty Hossam, Kuehne Thomas D. Physical chemistry chemical physics: PCCP . 2015,第29期

机译：“即时”耦合簇路径积分分子动力学：核量子效应对质子化水二聚体的影响（第17卷，第14355页，2015年）
4. Variational Path Integral Molecular Dynamics Simulation on Nuclear Quantum Effect of Protonated Water Clusters [C] . Hiroki Sugisawa, Tomonori Ida, Shinichi Miura 日本化学会春季年会講演予稿集 . 2018

机译：质子化水簇核量子效应的变分路径整体分子动力学模拟
5. Ab initio studies on the size dependence effects of solvation structure and intracluster reaction on aluminum ion(water), magnesium ion(water) and protonated methanol cluster ions. [D] . Siu, Chi-Kit. 2002

机译：从头开始研究溶剂化结构和簇内反应对铝离子（水），镁离子（水）和质子化的甲醇团簇离子的尺寸依赖性效应。
6. Correlated proton-electron hole dynamics in protonated water clusters upon extreme ultraviolet photoionization [O] . Zheng Li, Oriol Vendrell 2016

机译：极紫外光电离作用下质子化水簇中的相关质子电子空穴动力学
7. “On-the-fly” coupled cluster path-integral molecular dynamics: impact of nuclear quantum effects on the protonated water dimer [O] . Thomas Spura, Hossam Elgabarty, Thomas D. Kühne 2015

机译：“飞行”耦合簇路径整体分子动力学：核量子效应对质子化水二聚体的影响
8. Multiphoton Ionization of Ammonia Clusters and the Dissociation Dynamics of Protonated Cluster Ions [R] . Echt, O., Dao, P. D., Morgan, S., 1985

机译：氨簇的多光子电离和质子化团簇的离解动力学

Magic and Antimagic Protonated Water Clusters: Exotic Structures with Unusual Dynamic Effects

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