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Results: 1-25 | 26-29
Results: 1-25/29
Stereochemistry of radical halogenation reactions. An ab initio molecular orbital study
Authors: Li, ZH Fan, KN Wong, MW
Citation: Zh. Li et al., Stereochemistry of radical halogenation reactions. An ab initio molecular orbital study, J PHYS CH A, 105(48), 2001, pp. 10890-10898
Formation and characterization of the (eta(2)-H-2)CrO2, (eta(2)-H-2)(2)CrO2 and HCrO(OH) molecules
Authors: Zhou, MF Zhang, LN Shao, LM Wang, WN Fan, KN Qin, QZ
Citation: Mf. Zhou et al., Formation and characterization of the (eta(2)-H-2)CrO2, (eta(2)-H-2)(2)CrO2 and HCrO(OH) molecules, J PHYS CH A, 105(47), 2001, pp. 10747-10752
Reactions of Fe with H2O and FeO with H-2. A combined matrix isolation FTIR and theoretical study
Authors: Zhang, LN Zhou, MF Shao, LM Wang, WN Fan, KN Qin, QZ
Citation: Ln. Zhang et al., Reactions of Fe with H2O and FeO with H-2. A combined matrix isolation FTIR and theoretical study, J PHYS CH A, 105(29), 2001, pp. 6998-7003
Reactions of Mn with H2O and MnO with H-2. Matrix-isolation FTIR and quantum chemical studies
Authors: Zhou, MF Zhang, LN Shao, LM Wang, WN Fan, KN Qin, QZ
Citation: Mf. Zhou et al., Reactions of Mn with H2O and MnO with H-2. Matrix-isolation FTIR and quantum chemical studies, J PHYS CH A, 105(24), 2001, pp. 5801-5807
Structural and electronic properties of silver surfaces: ab initio pseudopotential density functional study
Authors: Wang, Y Wang, WN Fan, KN Deng, JF
Citation: Y. Wang et al., Structural and electronic properties of silver surfaces: ab initio pseudopotential density functional study, SURF SCI, 490(1-2), 2001, pp. 125-132
The first-principle study of the iodine-modified silver surfaces
Authors: Wang, Y Wang, WN Fan, KN Deng, JF
Citation: Y. Wang et al., The first-principle study of the iodine-modified silver surfaces, SURF SCI, 487(1-3), 2001, pp. 77-86
Dynamical theory of time-resolved fluorescence with pulse excitation
Authors: Lu, J Shao, FW Fan, KN Du, SD
Citation: J. Lu et al., Dynamical theory of time-resolved fluorescence with pulse excitation, J CHEM PHYS, 114(8), 2001, pp. 3373-3379
A theoretical study of Si4H2 cluster with ab initio and density functionaltheory methods
Authors: Wang, WN Tang, HR Fan, KN Iwata, S
Citation: Wn. Wang et al., A theoretical study of Si4H2 cluster with ab initio and density functionaltheory methods, J CHEM PHYS, 114(3), 2001, pp. 1278-1285
Dynamical theory of spectroscopy with pulse excitation in strong laser fields
Authors: Lu, J Fan, KN Lee, SY
Citation: J. Lu et al., Dynamical theory of spectroscopy with pulse excitation in strong laser fields, CHEM P LETT, 345(1-2), 2001, pp. 151-158
Interaction of halogen atom with Ag(110): ab initio pseudopotential density functional study
Authors: Wang, Y Sun, Q Fan, KN Deng, JF
Citation: Y. Wang et al., Interaction of halogen atom with Ag(110): ab initio pseudopotential density functional study, CHEM P LETT, 334(4-6), 2001, pp. 411-418
Magic numbers in silicon dioxide-based clusters
Authors: Xu, C Wang, WN Zhang, WH Zhuang, J Liu, L Kong, QY Zhao, L Long, YC Fan, KN Qian, SX Li, YF
Citation: C. Xu et al., Magic numbers in silicon dioxide-based clusters, J PHYS CH A, 104(42), 2000, pp. 9518-9524
Energy band theory study of the iodine atom adlayers on Ag(110)
Authors: Wang, Y Sun, Q Fan, KN Liu, HL Deng, JF
Citation: Y. Wang et al., Energy band theory study of the iodine atom adlayers on Ag(110), ACT CHIM S, 58(8), 2000, pp. 931-934
Theoretical study on the local structure and properties of electron transfer of Ni-B amorphous alloy
Authors: Luo, C Shen, BR Fan, KN Deng, JF Liu, HL
Citation: C. Luo et al., Theoretical study on the local structure and properties of electron transfer of Ni-B amorphous alloy, ACT CHIM S, 58(8), 2000, pp. 948-952
Effects of iodine and oxygen modification on the adsorption of methanol onthe Ag(110) surface - A density-functional theory approach
Authors: Tang, HR Fan, KN Deng, JF
Citation: Hr. Tang et al., Effects of iodine and oxygen modification on the adsorption of methanol onthe Ag(110) surface - A density-functional theory approach, ACT CHIM S, 58(6), 2000, pp. 647-651
A theoretical distinction between time-resolved resonance Raman and resonance fluorescence
Authors: Lu, J Du, SD Fan, KN Lee, SY
Citation: J. Lu et al., A theoretical distinction between time-resolved resonance Raman and resonance fluorescence, CHIN PHYS L, 17(4), 2000, pp. 272-274
Effect of halogen atoms (Cl, Br, I) on the structure and catalytic behavior of Ag(111) surface: a density functional theory study
Authors: Shen, BR Fang, ZG Fan, KN Deng, JF
Citation: Br. Shen et al., Effect of halogen atoms (Cl, Br, I) on the structure and catalytic behavior of Ag(111) surface: a density functional theory study, SURF SCI, 459(1-2), 2000, pp. 206-212
Ab initio pseudopotential study of dehydrogenation of methanol on oxygen modified Ag(110) surface
Authors: Sun, Q Wang, Y Fan, KN Deng, JF
Citation: Q. Sun et al., Ab initio pseudopotential study of dehydrogenation of methanol on oxygen modified Ag(110) surface, SURF SCI, 459(1-2), 2000, pp. 213-222
Chemisorption of iodine on Ag(110): a density-functional theory approach
Authors: Tang, HR Wang, WN Li, ZH Dal, WL Fan, KN Deng, JF
Citation: Hr. Tang et al., Chemisorption of iodine on Ag(110): a density-functional theory approach, SURF SCI, 450(1-2), 2000, pp. 133-141
Application of ONIOM to cluster modeling of the metal surface
Authors: Tang, HR Fan, KN
Citation: Hr. Tang et Kn. Fan, Application of ONIOM to cluster modeling of the metal surface, CHEM P LETT, 330(5-6), 2000, pp. 509-514
Coherent control of the photodissociation of CH3I and IBr
Authors: Lu, J Shao, FW Fan, KN
Citation: J. Lu et al., Coherent control of the photodissociation of CH3I and IBr, CHEM P LETT, 329(5-6), 2000, pp. 461-468
Roles of surface and subsurface oxygen in the dehydrogenation of methanol on silver surface
Authors: Sun, Q Shen, BR Fan, KN Deng, J
Citation: Q. Sun et al., Roles of surface and subsurface oxygen in the dehydrogenation of methanol on silver surface, CHEM P LETT, 322(1-2), 2000, pp. 1-8
Dynamical theory of spectroscopy with pulse excitation - Application to continuum Raman of IBr
Authors: Lu, J Fan, KN Lee, SY
Citation: J. Lu et al., Dynamical theory of spectroscopy with pulse excitation - Application to continuum Raman of IBr, CHIN SCI B, 44(2), 1999, pp. 139-142
Dynamical theory of spectroscopy with femtosecond pulse excitation (III) -Transient rate equation in Liouville space
Authors: Lu, J Fan, KN Lee, S
Citation: J. Lu et al., Dynamical theory of spectroscopy with femtosecond pulse excitation (III) -Transient rate equation in Liouville space, SCI CHINA A, 42(6), 1999, pp. 666-672
DFT study of electron transfer between B and Ni in Ni-B amorphous alloy
Authors: Fang, ZG Shen, BR Lu, J Fan, KN Deng, JF
Citation: Zg. Fang et al., DFT study of electron transfer between B and Ni in Ni-B amorphous alloy, ACT CHIM S, 57(8), 1999, pp. 894-900
Theoretical study on the structure and catalytic activity of Ni-Co-B amorphous alloy
Authors: Shen, BR Fang, ZG Fan, KN Deng, JF
Citation: Br. Shen et al., Theoretical study on the structure and catalytic activity of Ni-Co-B amorphous alloy, ACT CHIM S, 57(4), 1999, pp. 366-371
Risultati: 1-25 | 26-29