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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
Authors:  Yang, Li;  Sun, Lei;  Deng, Wei-Qiao
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The JPC Periodic Table 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY A, 2019, 卷号: 123, 期号: 28, 页码: 5837-5848
Authors:  Schatz, George C.;  McCoy, Anne B.;  Shea, Joan-Emma;  Murphy, Catherine J.;  Scholes, Gregory;  Batista, Victor;  Bhattacharyya, Kankan;  Bisquert, Juan;  Crawford, Daniel;  Cuk, Tanja;  Dickson, Robert;  Fairbrother, Howard;  Forsyth, Maria;  Fourkas, John;  Geiger, Franz;  Gewirth, Andrew;  Goodson, Theodore, III;  Goward, Gillian R.;  Guo, Hua;  Hartland, Gregory V.;  Jungwirth, Pavel;  Link, Stephan;  Liu, Gang-yu;  Liu, Zhi-Pan;  Mennucci, Benedetta;  Minton, Timothy;  Mullin, Amy S.;  Prezhdo, Oleg;  Schneider, William F.;  Schwartz, Benjamin;  Snider, Neil;  Solomon, Gemma;  Weitz, Eric;  Yang, Xueming;  Yethiraj, Arun;  Zaera, Francisco;  Zanni, Martin;  Zhang, Jin;  Zhong, Haizheng;  Zwier, Timothy
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Theoretical Investigations of Rate Coefficients of H + H2O2 -> OH + H2O on a Full-Dimensional Potential Energy Surface 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY A, 2019, 卷号: 123, 期号: 18, 页码: 3969-3976
Authors:  Lu, Xiaoxiao;  Wang, Xingan;  Fu, Bina;  Zhang, Donghui
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Dynamic Excited-State Intramolecular Proton Transfer Mechanisms of Two Novel 3-Hydroxyflavone-Based Chromophores in Two Different Surroundings 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY A, 2019, 卷号: 123, 期号: 18, 页码: 3937-3948
Authors:  Hao, Jiaojiao;  Yang, Yang
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Structures and Infrared Spectra of [M(CO2)(7)](+) (M = V, Cr, and Mn) Complexes 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY A, 2019, 卷号: 123, 期号: 17, 页码: 3703-3708
Authors:  Yang, Dong;  Kong, Xiangtao;  Zheng, Huijun;  Su, Mingzhi;  Zhao, Zhi;  Xie, Hua;  Fan, Hongjun;  Zhang, Weiqing;  Jiang, Ling
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Photoelectron Spectroscopy and Theoretical Study of CrnSi15-n- (n=1-3): Effects of Doping Cr Atoms on the Structural and Magnetic Properties 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY A, 2018, 卷号: 122, 期号: 51, 页码: 9886-9893
Authors:  Yang, Bin;  Xu, Hongguang;  Xu, Xiling;  Zheng, Weijun
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Molecular Design for Electron-Driven Double-Proton Transfer: A New Scenario for Excited-State Proton-Coupled Electron Transfer 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY A, 2018, 卷号: 122, 期号: 47, 页码: 9191-9198
Authors:  Ren, Guanghua;  Meng, Qingchi;  Zhao, Jinfeng;  Chu, Tianshu
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Ring-Polymer Molecular Dynamics with Coarse-Grained Treatment of the Rate Coefficients of Chlorine Atom Reactions with Methane, Ethane, and Propane 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY A, 2018, 卷号: 122, 期号: 42, 页码: 8320-8325
Authors:  Meng, Qingyong
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Temperature-Dependent Infrared Photodissociation Spectroscopy of (CO2)(3)(+) Cation 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY A, 2018, 卷号: 122, 期号: 40, 页码: 8054-8057
Authors:  Lei, Xin;  Kong, Xiangtao;  Zhang, Bingbing;  Zhao, Zhi;  Dai, Dongxu;  Yang, Xueming;  Jiang, Ling
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Ligand-Enhanced CO Activation by the Early Lanthanide-Nickel Heterodimers: Photoelectron Velocity-Map Imaging Spectroscopy of LnNi(CO)(n)(-) (Ln = La, Ce) 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY A, 2018, 卷号: 122, 期号: 15, 页码: 3811-3818
Authors:  Li, Gang;  Zhang, Jumei;  Xie, Hua;  Kong, Xiangtao;  Jiang, Ling
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