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CORC

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Two-state diabatic potential energy surfaces of ClH2 based on nonadiabatic couplings with neural networks 期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2019, 卷号: 21, 期号: 36, 页码: 20372-20383
作者:  Yin, Zhengxi;  Guan, Yafu;  Fu, Bina;  Zhang, Dong H.
收藏  |  浏览/下载：43/0  |  提交时间：2019/12/02
Combination Rules and Accurate van der Waals Force Field for Gas Uptakes in Porous Materials 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY A, 2019, 卷号: 123, 期号: 36, 页码: 7847-7854
作者:  Yang, Li;  Sun, Lei;  Deng, Wei-Qiao
收藏  |  浏览/下载：55/0  |  提交时间：2019/12/02
Enhancing single-molecule magnet behaviour through decorating terminal ligands in Dy-2 compounds 期刊论文
DALTON TRANSACTIONS, 2019, 卷号: 48, 期号: 33, 页码: 12622-12631
作者:  Ma, Xiufang;  Chen, Bingbing;  Zhang, Yi-Quan;  Yang, Jinhui;  Shi, Quan
收藏  |  浏览/下载：61/0  |  提交时间：2019/12/02
Carbon Monoxide Activation on Cobalt Carbide for Fischer-Tropsch Synthesis from First-Principles Theory 期刊论文
ACS CATALYSIS, 2019, 卷号: 9, 期号: 9, 页码: 8093-8103
作者:  Chen, Pei-Pei;  Liu, Jin-Xun;  Li, Wei-Xue
收藏  |  浏览/下载：87/0  |  提交时间：2019/12/02
Two-layer Gaussian-based MCTDH study of the S-1 <- S-0 vibronic absorption spectrum of formaldehyde using multiplicative neural network potentials 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2019, 卷号: 151, 期号: 6, 页码: 13
作者:  Koch, Werner;  Bonfanti, Matteo;  Eisenbrandt, Pierre;  Nandi, Apurba;  Fu, Bina
收藏  |  浏览/下载：38/0  |  提交时间：2019/12/02
Adsorption Structure and Coverage-Dependent Orientation Analysis of Sub-Monolayer Acetonitrile on TiO2(110) 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY C, 2019, 卷号: 123, 期号: 29, 页码: 17915-17924
作者:  Zhang, Ruidan;  Dong, Jichao;  Luo, Ting;  Tang, Fujie;  Peng, Xingxing
收藏  |  浏览/下载：66/0  |  提交时间：2019/12/02
Representation of coupled adiabatic potential energy surfaces using neural network based quasi-diabatic Hamiltonians: 1,2 (2)A ' states of LiFH 期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2019, 卷号: 21, 期号: 26, 页码: 14205-14213
作者:  Guan, Yafu;  Zhang, Dong H.;  Guo, Hua;  Yarkony, David R.
收藏  |  浏览/下载：32/0  |  提交时间：2019/12/02
Origin of enhanced stability in thiocyanate substituted -FAPbI(3) analogues 期刊论文
SCIENCE CHINA-CHEMISTRY, 2019, 卷号: 62, 期号: 7, 页码: 866-874
作者:  Xu, Zhuo;  Chen, Ming;  Liu, Shengzhong (Frank)
收藏  |  浏览/下载：54/0  |  提交时间：2019/12/02
Probing solvation and reactivity in ionized polycyclic aromatic hydrocarbon-water clusters with photoionization mass spectrometry and electronic structure calculations 期刊论文
FARADAY DISCUSSIONS, 2019, 卷号: 217, 页码: 414-433
作者:  Xu, Bo;  Stein, Tamar;  Ablikim, Utuq;  Jiang, Ling;  Hendrix, Josie
收藏  |  浏览/下载：47/0  |  提交时间：2019/12/02
Persistent zinc-ion storage in mass-produced V2O5 architecture 期刊论文
NANO ENERGY, 2019, 卷号: 60, 页码: 171-178
作者:  Chen, Dong;  Rui, Xianhong;  Zhang, Qi;  Geng, Hongbo
收藏  |  浏览/下载：96/0  |  提交时间：2019/06/25

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