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	The dynamic parallel distribution algorithm for hybrid density-functional calculations in HONPAS package 期刊论文 OAI收割 COMPUTER PHYSICS COMMUNICATIONS, 2020, 卷号: 254, 页码: 9 作者: Shang, Honghui; Xu, Lei; Wu, Baodong; Qin, Xinming; Zhang, Yunquan \| 收藏 \| 浏览/下载：48/0 \| 提交时间：2020/12/10 Density-functional theory Hartree-Fock Hybrid functionals Numeric atomic orbitals Linear scaling MPI
	Influence of Microstructure and Interaction on Viscosity of Ionic Liquids 期刊论文 OAI收割 INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH, 2015, 卷号: 54, 期号: 13, 页码: 3505-3514 作者: Zhang, Xiaochun; Huo, Feng; Liu, Xiaomin; Dong, Kun; He, Hongyan 收藏 \| 浏览/下载：43/0 \| 提交时间：2015/05/12 MOLECULAR-FORCE FIELD HYBRID DENSITY FUNCTIONALS DYNAMICS SIMULATIONS IMIDAZOLIUM CATION HYDROGEN-BONDS ALL-ATOM SALTS CO2 ANIONS SEPARATIONS
	Hydrogen-bonding interactions between a pyridinium-based ionic liquid C4Py SCN and dimethyl sulfoxide 期刊论文 OAI收割 Chemical Engineering Science, 2015, 期号: 0, 页码: 169-179 作者: He, H. Y.; Chen, H.; Zheng, Y. Z.; Zhang, S. J.; Yu, Z. W. 收藏 \| 浏览/下载：25/0 \| 提交时间：2015/04/01 Quantum chemical calculation ATR-FTIR Ionic liquids Hydrogen bond Excess infrared spectroscopy HYBRID DENSITY FUNCTIONALS HIGH-PRESSURE WATER IMIDAZOLIUM TETRAFLUOROBORATE SPECTROSCOPY METHANOL TRIFLUOROACETATE SOLVATION CELLULOSE
	A New Hybrid DFT Approach to Electronic Excitation and First Hyperpolarizabilities of Transition Metal Complexes 期刊论文 OAI收割 Journal of Computational Chemistry, 2009, 卷号: 30, 期号: 13, 页码: 2056-2063 J. Lin, K. C. Wu and M. X. Zhang 收藏 \| 浏览/下载：23/0 \| 提交时间：2012/11/06 hybrid exchange functional organometallic molecule conventional density functional optical property nonlinear-optical properties generalized-gradient-approximation density-functional theory quadratic hyperpolarizabilities organometallic complexes dipole-moment exchange functionals correlation energies carbonyl-complexes acceptor groups