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【期刊论文】CASSCF Study of Bonding in NiCO and FeCO
徐昕, XIN XU, XIN Lǖ, NANQIN WANG, QIANER ZHANG, MASAHIRO EHARA, HIROSHI NAKATSUJI
【期刊论文】Structure, Bonding, and Stability of a Catalytica Platinum(II) Catalyst: A Computational Study
徐昕, Xin Xu, †, ‡ Jeremy Kua, ‡ Roy A. Periana, § and William A. Goddard III*, ‡
【期刊论文】Nitridation of Si(100)-(2
徐昕, X. Xu, , * S.-Y. Kang, and T. Yamabe, †
【期刊论文】The gas phase reaction of singlet dioxygen with water: A water-catalyzed mechanism
徐昕, Xin Xu†, Richard P. Muller, and William A. Goddard Ⅲ‡
【期刊论文】On-top adsorption of hydrogen at platinum electrodes: a quantum-chemical study
徐昕, X. Xu, D.Y. Wu, B. Ren, H. Xian, Zhong-Qun Tian*
【期刊论文】Bonding Properties of the Water Dimer: A Comparative Study of Density Functional Theories
徐昕, Xin Xu† and William A. Goddard, III*
【期刊论文】Studies on cluster-surface analogy: ab initio calculations for the CO/Ni chemisorption system
徐昕, X. Xu, N. Wang and Q. Zhang
【期刊论文】Cluster modeling of metal oxides: case study of MgO and the CO/MgO adsorption system*
徐昕, X. Xu, , H. Nakatsuji, X. Lu, M. Ehara, Y. Cai, N.Q. Wang, Q.E. Zhang
【期刊论文】The X3LYP extended density functional for accurate descriptions of nonbond interactions, spin tates, and thermochemical properties
徐昕, Xin Xu*† and William A. Goddard III*‡
【期刊论文】Peroxone chemistry: Formation of H2O3 and ring-(HO2)(HO3) from O3 H2O2
徐昕, Xin Xu† and William A. Goddard III‡
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