AAAAAA

   
Results: 1-25 | 26-34
Results: 1-25/34
Therotical studies of the vibrational spectra of methyl-N-(1-naphthyl)-urethane
Authors: Ma, XH Guo, Y Xue, Y Xie, DQ Yan, GS
Citation: Xh. Ma et al., Therotical studies of the vibrational spectra of methyl-N-(1-naphthyl)-urethane, ACT CHIM S, 59(3), 2001, pp. 332-338
Theoretical studies on the potential energy surface and rovibrational states for the electronic ground state of carbonyl sulfide
Authors: Xie, DQ Lu, YH Xu, DG Yan, GS
Citation: Dq. Xie et al., Theoretical studies on the potential energy surface and rovibrational states for the electronic ground state of carbonyl sulfide, CHEM PHYS, 270(3), 2001, pp. 415-428
Theoretical studies on vibrational spectra of ClC(O)NCS
Authors: Xue, Y Xie, DQ Yan, GS
Citation: Y. Xue et al., Theoretical studies on vibrational spectra of ClC(O)NCS, CHEM J CH U, 22(7), 2001, pp. 1189-1192
Ab initio characterization of low-lying triplet state potential-energy surfaces and vibrational frequencies in the Wulf band of ozone
Authors: Xie, DQ Guo, H Peterson, KA
Citation: Dq. Xie et al., Ab initio characterization of low-lying triplet state potential-energy surfaces and vibrational frequencies in the Wulf band of ozone, J CHEM PHYS, 115(22), 2001, pp. 10404-10408
A new ab initio potential energy surface of HCN(1(1)A '') and the predissociative resonances of HCN and DCN
Authors: Xu, DG Xie, DQ Guo, H
Citation: Dg. Xu et al., A new ab initio potential energy surface of HCN(1(1)A '') and the predissociative resonances of HCN and DCN, CHEM P LETT, 345(5-6), 2001, pp. 517-524
Theoretical studies for the potential energy surface aad rovibrational spectra of Ne-HCN
Authors: Xie, DQ Lu, YH Yan, GS
Citation: Dq. Xie et al., Theoretical studies for the potential energy surface aad rovibrational spectra of Ne-HCN, CHEM P LETT, 339(1-2), 2001, pp. 14-22
Density functional theory study on fundamental vibrational spectra of disilyl iodide and its isotopomer
Authors: Xu, XJ Xie, DQ Xue, Y Yang, GS
Citation: Xj. Xu et al., Density functional theory study on fundamental vibrational spectra of disilyl iodide and its isotopomer, SPECT ACT A, 56(3), 2000, pp. 567-574
Density functional theory studies on tautomeric stability and infrared spectra of 2-chloroadenine
Authors: Xue, Y Xu, DG Xie, DQ Yan, GS
Citation: Y. Xue et al., Density functional theory studies on tautomeric stability and infrared spectra of 2-chloroadenine, SPECT ACT A, 56(10), 2000, pp. 1929-1938
Three-dimensional photodissociation dynamics of rotational state selected methyl iodide
Authors: Xie, DQ Guo, H Amatatsu, Y Kosloff, R
Citation: Dq. Xie et al., Three-dimensional photodissociation dynamics of rotational state selected methyl iodide, J PHYS CH A, 104(5), 2000, pp. 1009-1019
Theoretical study of potential energy surface and vibrational spectra of ArF2 system
Authors: Yang, MH Xie, DQ Yan, GS
Citation: Mh. Yang et al., Theoretical study of potential energy surface and vibrational spectra of ArF2 system, SCI CHINA B, 43(2), 2000, pp. 196-200
Theoretical studies on vibrational spectra of FC(O)NCS
Authors: Xiao, HY Xue, Y Xu, XJ Xie, DQ Yan, GS
Citation: Hy. Xiao et al., Theoretical studies on vibrational spectra of FC(O)NCS, ACT CHIM S, 58(4), 2000, pp. 414-417
Potential energy surface and vibrational spectrum of OCS
Authors: Lu, YH Zhou, YZ Xie, DQ Yan, GS
Citation: Yh. Lu et al., Potential energy surface and vibrational spectrum of OCS, ACT CHIM S, 58(12), 2000, pp. 1516-1521
Density functional theory study on vibrational spectrum of indole
Authors: Xue, Y Guo, Y Xu, XJ Xie, DQ Yan, GS
Citation: Y. Xue et al., Density functional theory study on vibrational spectrum of indole, ACT CHIM S, 58(10), 2000, pp. 1254-1258
Density functional theory studies on molecular structure and IR spectra ofguanine - A scaled quantum mechanical force field approach
Authors: Xue, Y Xu, DG Xie, DQ Yan, GS
Citation: Y. Xue et al., Density functional theory studies on molecular structure and IR spectra ofguanine - A scaled quantum mechanical force field approach, CHEM J CH U, 21(8), 2000, pp. 1293-1298
Theoretical studies on the potential energy surface and rovibrational states for the electronic ground state of SO2
Authors: Xu, DG Lu, YH Xie, DQ Yan, GS
Citation: Dg. Xu et al., Theoretical studies on the potential energy surface and rovibrational states for the electronic ground state of SO2, CHEM J CH U, 21(12), 2000, pp. 1884-1887
Dynamics of rare gas desorption from Pt(111) induced by collisions with photogenerated hot oxygen atoms
Authors: Xie, DQ Guo, H
Citation: Dq. Xie et H. Guo, Dynamics of rare gas desorption from Pt(111) induced by collisions with photogenerated hot oxygen atoms, SURF SCI, 447(1-3), 2000, pp. 219-228
Accurate ab initio near-equilibrium potential energy and dipole moment functions of the ground electronic state of ozone
Authors: Xie, DQ Guo, H Peterson, KA
Citation: Dq. Xie et al., Accurate ab initio near-equilibrium potential energy and dipole moment functions of the ground electronic state of ozone, J CHEM PHYS, 112(19), 2000, pp. 8378-8386
Comparison of Chebyshev, Faber, and Lanczos propagation-based methods for calculating resonances
Authors: Xie, DQ Chen, RQ Guo, HA
Citation: Dq. Xie et al., Comparison of Chebyshev, Faber, and Lanczos propagation-based methods for calculating resonances, J CHEM PHYS, 112(12), 2000, pp. 5263-5269
A potential energy surface for the electronic ground state of CO2
Authors: Lu, YH Xie, DQ Yan, GS
Citation: Yh. Lu et al., A potential energy surface for the electronic ground state of CO2, INT J QUANT, 78(4), 2000, pp. 269-280
Density functional theory studies on molecular structure and IR spectra of9-methyladenine: A scaled quantum mechanical force field approach
Authors: Xue, Y Xie, DQ Yan, GS
Citation: Y. Xue et al., Density functional theory studies on molecular structure and IR spectra of9-methyladenine: A scaled quantum mechanical force field approach, INT J QUANT, 76(6), 2000, pp. 686-699
Absorption and resonance emission spectra of SO2((X)over-tilde(1)A(1)/(C)over-tilde(1)B(2)) calculated from ab initio potential energy and transitiondipole moment surfaces
Authors: Xie, DQ Guo, H Bludsky, O Nachtigall, P
Citation: Dq. Xie et al., Absorption and resonance emission spectra of SO2((X)over-tilde(1)A(1)/(C)over-tilde(1)B(2)) calculated from ab initio potential energy and transitiondipole moment surfaces, CHEM P LETT, 329(5-6), 2000, pp. 503-510
An ab initio potential energy surface of Ne-LiH
Authors: Lu, YH Xie, DQ Yang, MH Yan, GS
Citation: Yh. Lu et al., An ab initio potential energy surface of Ne-LiH, CHEM P LETT, 327(5-6), 2000, pp. 305-313
A combined experimental and theoretical study of resonance emission spectra of SO2((C)over-tildeB(2))
Authors: Parsons, B Butler, LJ Xie, DQ Guo, H
Citation: B. Parsons et al., A combined experimental and theoretical study of resonance emission spectra of SO2((C)over-tildeB(2)), CHEM P LETT, 320(5-6), 2000, pp. 499-506
Density functional theory studies on vibrational spectra of Si2H5X (X = F,Cl, Dr) and their isotopomers
Authors: Xie, DQ Xu, XJ Xue, Y Yan, GS
Citation: Dq. Xie et al., Density functional theory studies on vibrational spectra of Si2H5X (X = F,Cl, Dr) and their isotopomers, J PHYS CH A, 103(37), 1999, pp. 7437-7444
Computational studies of the structure and vibrational spectra of hexachlorodisilane
Authors: Xu, XJ Xue, Y Xie, DQ Yan, GS
Citation: Xj. Xu et al., Computational studies of the structure and vibrational spectra of hexachlorodisilane, ACT CHIM S, 57(7), 1999, pp. 680-684
Risultati: 1-25 | 26-34