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	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
	Theoretical Determination of Lowest Structures of All-Metal Aromatic Clusters M4L2 (M = Al, Ga, In, Tl; L = Li, Na, K, Rb, Cs) 期刊论文 OAI收割 International Journal of Quantum Chemistry, 2010, 卷号: 110, 期号: 5, 页码: 1127-1135 C. Y. Mang, C. P. Liu and K. C. Wu 收藏 \| 浏览/下载：54/0 \| 提交时间：2012/11/02 all-metal aromatic cluster lowest isomer MP2 density functional theory coupled cluster method quadratic configuration-interaction compact effective potentials set model chemistry exponent basis-sets correlation-energy atoms molecules density approximation efficient
	Theoretical studies on the reaction mechanism of palladium(0)-catalyzed addition of thiocyanates to alkynes 期刊论文 OAI收割 dalton transactions, 2008, 期号: 29, 页码: 3879-3888 Wang MY; Cheng L; Wu ZJ 收藏 \| 浏览/下载：178/31 \| 提交时间：2010/04/14 TRANSITION-METAL-COMPLEXES AB-INITIO MO/MP4 HIGHLY REGIOSELECTIVE CYANOTHIOLATION QUADRATIC CONFIGURATION-INTERACTION PALLADIUM-CATALYZED REACTIONS COUPLED-CLUSTER SINGLES SE BOND ADDITION C-C BONDS OXIDATIVE ADDITION SIGMA-BOND
	Electron affinities and ionization potentials of 4d and 5d transition metal atoms by CCSD(T), MP2 and density functional theory 期刊论文 OAI收割 chemical physics letters, 2006, 卷号: 423, 期号: 1-3, 页码: 81-86 Wu ZJ; Kawazoe Y 收藏 \| 浏览/下载：15/0 \| 提交时间：2010/08/17 QUADRATIC CONFIGURATION-INTERACTION COUPLED-CLUSTER SINGLES EXCITATION-ENERGIES APPROXIMATION GRADIENT EXCHANGE EQUATIONS