'On-the-fly'' coupled cluster path-integral molecular dynamics: impact of nuclear quantum effects on the protonated water dimer (vol 17, pg 14355, 2015)

Spura Thomas; Elgabarty Hossam; Kuehne Thomas D.

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'On-the-fly'' coupled cluster path-integral molecular dynamics: impact of nuclear quantum effects on the protonated water dimer (vol 17, pg 14355, 2015)

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）

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《Physical chemistry chemical physics: PCCP》 |2015年第29期|共2页
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Spura Thomas; Elgabarty Hossam; Kuehne Thomas D.;
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1. "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）
2. Nuclear quantum effects in the direct ionization process of pure helium clusters: path-integral and ring-polymer molecular dynamics simulations on the diatomics-in-molecule potential energy surfaces [J] . Suzuki Kento, Miyazaki Takaaki, Takayanagi Toshiyuki, Physical chemistry chemical physics: PCCP . 2018,第41期

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3. Quantum path-integral molecular dynamics calculations of the dipole-bound state of the water dimer anion [J] . Shiga M., Takayanagi T. Chemical Physics Letters . 2003,第5a6期

机译：水二聚体阴离子的偶极结合态的量子路径积分分子动力学计算
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. Quantum dynamics of hydrogen/metal clusters and O...H...O fragment of protonated water dimer. [D] . Dai, Jixin. 2000

机译：氢/金属团簇和质子化水二聚体的O ... H ... O片段的量子动力学。
6. Impact of nuclear quantum effects on the structural inhomogeneity of liquid water [O] . Arian Berger, Gustavo Ciardi, David Sidler, 2019

机译：核量子效应对液态水结构不均匀性的影响
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

'On-the-fly'' coupled cluster path-integral molecular dynamics: impact of nuclear quantum effects on the protonated water dimer (vol 17, pg 14355, 2015)

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