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Moderate point: Balanced entropy and enthalpy contributions in soft matter 期刊论文
CHINESE PHYSICS B, 2017, 卷号: 26, 期号: 3, 页码: 30506
Authors:  He, BJ;  Wang, YT;  Wang, YT (reprint author), Chinese Acad Sci, Inst Theoret Phys, CAS Key Lab Theoret Phys, Beijing 100190, Peoples R China.
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Moderate Point  Balanced Entropy  Enthalpy Contribution  
Covalent intermolecular interaction of the nitric oxide dimer (NO)(2) 期刊论文
CHINESE PHYSICS B, 2015, 卷号: 24, 期号: 9, 页码: 93101
Authors:  Zhang, H;  Zheng, GL;  Lv, G;  Geng, YZ;  Ji, Q;  Ji, Q (reprint author), Hebei Univ Technol, Sch Sci, Tianjin 300401, Peoples R China.
Adobe PDF(684Kb)  |  Favorite  |  View/Download:65/20  |  Submit date:2016/11/21
Nitric Oxide Dimer  Intermolecular Interaction  Natural Orbital  Covalent Bond  
Reweighted ensemble dynamics simulations: Theory, improvement, and application 期刊论文
CHINESE PHYSICS B, 2015, 卷号: 24, 期号: 6, 页码: 60202
Authors:  Gong, LC;  Zhou, X;  Ouyang, ZC;  Zhou, X (reprint author), Univ Chinese Acad Sci, Sch Phys, Beijing 100049, Peoples R China.
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Ensemble Dynamics Simulations  Peptides  Enhanced Sampling  Metastable States