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	High Fe utilization efficiency and low toxicity of Fe3C@Fe0 loaded biochar for removing of tetracycline hydrochloride in wastewater 期刊论文 OAI收割 JOURNAL OF CLEANER PRODUCTION, 2022, 卷号: 353, 期号: 0, 页码: 131630 作者: Liu, Kunyuan; Zheng, Feidan; Xiao, Ye; Fang, Jingyun; Zhao, Chuanfang \| 收藏 \| 浏览/下载：20/0 \| 提交时间：2022/11/08 ZERO-VALENT IRON DENSITY FUNCTIONALS ANTIBIOTICS PERFORMANCE DEGRADATION NANOPARTICLES CARBON
	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
	Probing the Hydrogen Bonding in Microsolvated Clusters of Au-1,2(-)(Solv)(n) (Solv = C2H5OH, n-C3H7OH; n=1-3 for Au-; n=1 for Au-2(-)) 期刊论文 OAI收割 JOURNAL OF PHYSICAL CHEMISTRY A, 2020, 卷号: 124, 期号: 27, 页码: 5590-5598 作者: Wang, YT; Han, CC; Fei, ZJ; Dong, CW; Liu, HT \| 收藏 \| 浏览/下载：28/0 \| 提交时间：2021/09/06 QUADRATIC CONFIGURATION-INTERACTION GENERALIZED GRADIENT APPROXIMATION VAPOR-PHASE HYDROCHLORINATION CATALYTIC-ACTIVITY CO OXIDATION PHOTOELECTRON-SPECTROSCOPY DENSITY FUNCTIONALS AEROBIC OXIDATION CARBON-DIOXIDE BASIS-SETS
	An effective Coulomb interaction in nuclear energy density functionals 期刊论文 OAI收割 NUCLEAR PHYSICS A, 2019, 卷号: 983, 页码: 133-144 作者: Dong, J. M.; Shang, X. L.; Zuo, W.; Niu, Y. F.; Sun, Y. \| 收藏 \| 浏览/下载：65/0 \| 提交时间：2019/04/02 Coulomb interaction Nuclear energy density functionals Charge-symmetry breaking Brueckner theory
	Improving the graphite/electrolyte interface in lithium-ion battery for fast charging and low temperature operation: Fluorosulfonyl isocyanate as electrolyte additive 期刊论文 OAI收割 JOURNAL OF POWER SOURCES, 2019, 卷号: 429, 页码: 67-74 作者: Shi, Junli; Ehteshami, Niloofar; Ma, Jialing; Zhang, Hui; Liu, Haidong \| 收藏 \| 浏览/下载：37/0 \| 提交时间：2019/12/18 SOLID-ELECTROLYTE DENSITY FUNCTIONALS INTERPHASE SEI IN-SITU PERFORMANCE TETRAFLUOROBORATE CARBONATE
	Shape evolution of Kr-72,Kr-74 with temperature in covariant density functional theory 期刊论文 OAI收割 CHINESE PHYSICS C, 2017, 卷号: 41, 期号: 9, 页码: 11 作者: Zhang, Wei; Niu, Yi-Fei \| 收藏 \| 浏览/下载：8/0 \| 提交时间：2021/11/29 nuclear energy density functionals finite temperature shape evolution
	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：42/0 \| 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. 收藏 \| 浏览/下载：24/0 \| 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：22/0 \| 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