| 中文标题 | 作者 | 论文ID | 分类简称 | 发布时间 |
|---|---|---|---|---|
| 通过共振效应在集体制度中修正腔体内的热化学速率 | Jing Sun and Oriol Vendrell | 2308.03609 | physics.chem-ph | 2023-08-08 |
| 为什么有些简单糖在水中比其他糖更易溶解？ | Imre Bak''o, L''aszl''o Pusztai, Szilvia Pothoczki | 2308.03653 | physics.chem-ph | 2023-08-08 |
| 分子激发态的张量积选择CI方法的推广 | Nicole M. Braunscheidel, Vibin Abraham, Nicholas J. Mayhall | 2303.02232 | physics.chem-ph | 2023-08-07 |
| J驱动的DNP增强NMR中由局部弛豫模式引入的稳态效应 | Maria Grazia Concilio and Lucio Frydman | 2305.07462 | physics.chem-ph | 2023-08-07 |
| 机器学习辅助下的全面第一原理表面光谱学 | Yair Litman and Jinggang Lan and Yuki Nagata and David M. Wilkins | 2305.09321 | physics.chem-ph | 2023-08-07 |
| 量子动力学方法预测有机材料激光泵浦阈值 | Bin Zhang and Zhigang Shuai | 2308.02447 | physics.chem-ph | 2023-08-07 |
| 对氢发生反应的Delta G~0解释的挑战 | Per Lindgren, Georg Kastlunger, Andrew A. Peterson | 1903.09903 | physics.chem-ph | 2023-08-04 |
| 高压水中的氢键网络特性的表征：深度势分子动力学 | Renxi Liu, Mohan Chen | 2303.13851 | physics.chem-ph | 2023-08-04 |
| xTC：转关联方法中三体相互作用的高效处理 | Evelin Martine Christlmaier and Thomas Schraivogel and Pablo L''opez R''ios and Ali Alavi and Daniel Kats | 2304.07006 | physics.chem-ph | 2023-08-04 |
| RPA，一种计算静态非线性光学性质的准确快速方法 | Pau Besal''u-Sala, Fabien Bruneval, ''Angel Jos''e P''erez-Jim''enez, Juan Carlos Sancho-Garc''ia and Mauricio Rodr''iguez-Mayorga | 2306.04418 | physics.chem-ph | 2023-08-04 |
| 电化学屏障的基本驱动因素 | Xi Chen, Georg Kastlunger, Andrew A. Peterson | 2306.05521 | physics.chem-ph | 2023-08-04 |
| 利用从头算经典轨迹非绝热模拟乙烯的光异构化和解离 | Ken Miyazaki and Nandini Ananth | 2306.10195 | physics.chem-ph | 2023-08-04 |
| 低温下氦气的输运性质的分子动力学模拟确定中的不确定性 | Kaanapuli Ramkumar, Swati Swagatika Mishra, and Sudeep Bhattacharjee | 2211.05154 | physics.chem-ph | 2023-08-02 |
| 对称化路径积分得到的精确隧穿分裂 | George Trenins, Lars Meuser, Hannah Bertschi, Odysseas Vavourakis, Reto Fl"utsch, and Jeremy O. Richardson (Department of Chemistry and Applied Biosciences, ETH Z"urich, Switzerland) | 2305.11002 | physics.chem-ph | 2023-08-02 |
| 超越腔内波恩-奥本海默：关于非绝热耦合和振动偶极化化学中的有效基态哈密顿量 | Eric W. Fischer, Peter Saalfrank | 2305.11153 | physics.chem-ph | 2023-08-02 |
| 评估混合量子经典分子动力学方法在金属表面上分子非绝热动力学中的应用 | James Gardner, Scott Habershon, Reinhard J. Maurer | 2305.17944 | physics.chem-ph | 2023-08-02 |
| 从同行评议的文献中自主提取数据，用于训练氧化潜能机器学习模型 | Siwoo Lee and Stefan Heinen and Danish Khan and O. Anatole von Lilienfeld | 2308.00389 | physics.chem-ph | 2023-08-02 |
| 线性代数在化学交换系统核自旋动力学计算中的基本工具 | Jingyan Xu, Danila A. Barskiy | 2304.03139 | physics.chem-ph | 2023-08-01 |
| 利用中红外推动脉冲调控块状异质结材料中的电荷共享 | Angela Montanaro, Kyu Hyung Park, Francesca Fassioli, Francesca Giusti, Daniele Fausti, Gregory D. Scholes | 2305.10128 | physics.chem-ph | 2023-08-01 |
| 神经网络量子态的非随机优化算法 | Xiang Li, Jia-Cheng Huang, Guang-Ze Zhang, Hao-En Li, Chang-su Cao, Dingshun Lv, Han-Shi Hu | 2305.12776 | physics.chem-ph | 2023-08-01 |
| 固态顺氢低温下的电子热化长度 | A. F. Borghesani, G. Carugno, G. Messineo, and J. Pazzini | 2307.15963 | physics.chem-ph | 2023-08-01 |
| 多状态映射方法的表面跳跃 | Johan E. Runeson, David E. Manolopoulos | 2305.08835 | physics.chem-ph | 2023-07-31 |
| 电子在分子-半导体界面的斯塔克控制 | Antonio J. Garz''on-Ram''irez and Ignacio Franco | 2307.09430 | physics.chem-ph | 2023-07-31 |
| 自旋耦合对几何依赖的二重自由基X射线吸收的影响 | Scott M. Garner, Eric A. Haugen, Stephen R. Leone, Eric Neuscamman | 2307.15207 | physics.chem-ph | 2023-07-31 |
| 氢+水+癸烷混合物在三相平衡中的界面性质分子建模 | Yafan Yang, Jingyu Wan, Jingfa Li, Guangsi Zhao, Xiangyu Shang | 2307.15356 | physics.chem-ph | 2023-07-31 |