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名称:中国化学会
省份:北京市

移动网上营业厅选号码:第十三届全国量子化学会议报告集

会议论文
二阶的密度矩阵重整化群自洽场 马英晋;Knecht Stefan;Keller Sebastian;Reiher Markus;
受限流体的经典密度泛函理论及其应用 顾芳;李江涛;赵萌;王海军;
Photochemistry and photophysics through conical intersections 李全松;李泽生;
Disspaton theory for open quantum systems in nonlinear coupling environment YiJing Yan;
分子模拟中静电处理方法的新进展(英文) 胡中汉;呼黎明;潘聪;衣沙沙;
Non-Condon vibronic coupling effects on coherent excitation energy transfer Hou-Dao Zhang;YiJing Yan;
Computer Simulation and Analysis of Proteins: from Study of One Protein at a Time Based on QM/MM MD approaches to Analysis of One Million Proteins Together for Proteomes Hong Guo;
细胞膜全原子可极化分子力场的建立与应用以及完全自主知识产权高精度生物分子动力学模拟程序的实现 李国辉;
Molecular Dynamics Simulations on Barium Blockades in potassium channels LiDong Gong;Benoit Roux;
Interaction Entropy and Quantitative Analysis of Protein-Protein Interaction John Z.H.Zhang;
Theoretical Study on Fluorescent RNA Xin Li;
A two-photon fluorescent probe for Imaging Human Cytochrome P450 1A: Theoretical Investigation Chun Zhang;Ai-Min Ren;
The Origin of Substrate and Product Specificities of Protein Lysine Methyltransferase Suv4-20h2 Ping Qian;Haobo Guo;Liang Wang;Hong Guo;
Going Beyond Conventional Functionals with Scaling Corrections and Pairing Fluctuations in DFT Weitao Yang;
Dark 2A_g State as Pathway for Intramolecular Singlet Fission: a DMRG Study Shuai Zhigang;Ren Jiajun;Yuanping Yi;
Novel Developments in ab initio Classical Valence Bond Theory Wei Wu;
Advances in Electronic Structure Methods and Computation-driven Synthetic Chemistry Shuhua Li;
Recent advances on the XYG3-type of doubly hybrid density functionals Xin Xu;
Time-dependent wavepacket diffusive method and its applications to carrier dynamics in organic materials 赵仪;
Electronic coupling and rates for Singlet Fission Chao-Ping Hsu;
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