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Results: 1-18 |
Results: 18
Response to "Comment on 'High order finite difference algorithms for solving the Schrodinger equation in molecular dynamics' "
Authors: Guantes, R Farantos, SC
Citation: R. Guantes et Sc. Farantos, Response to "Comment on 'High order finite difference algorithms for solving the Schrodinger equation in molecular dynamics' ", J CHEM PHYS, 115(14), 2001, pp. 6796-6797
Application of the Characteristic Bisection Method for locating and computing periodic orbits in molecular systems
Authors: Vrahatis, MN Perdiou, AE Kalantonis, VS Perdios, EA Papadakis, K Prosmiti, R Farantos, SC
Citation: Mn. Vrahatis et al., Application of the Characteristic Bisection Method for locating and computing periodic orbits in molecular systems, COMP PHYS C, 138(1), 2001, pp. 53-68
Saddle-node states in the spectra of HCO and DCO: a periodic orbit classification of vibrational levels
Authors: Stamatiadis, S Farantos, SC Keller, HM Schinke, R
Citation: S. Stamatiadis et al., Saddle-node states in the spectra of HCO and DCO: a periodic orbit classification of vibrational levels, CHEM P LETT, 344(5-6), 2001, pp. 565-572
Periodic orbit analysis for HeH2+ in three dimensions
Authors: Maiti, B Sathyamurthy, N Stamatiadis, S Farantos, SC
Citation: B. Maiti et al., Periodic orbit analysis for HeH2+ in three dimensions, I J CHEM A, 39(1-3), 2000, pp. 338-344
Cluster collisions of water tetramers: a classical dynamical study
Authors: Vegiri, A Farantos, SC
Citation: A. Vegiri et Sc. Farantos, Cluster collisions of water tetramers: a classical dynamical study, CHEM PHYS, 262(2-3), 2000, pp. 337-347
Mass spectra and theoretical modeling of Li+Nen, Li+Arn and Li+Krn clusters
Authors: Froudakis, GE Farantos, SC Velegrakis, M
Citation: Ge. Froudakis et al., Mass spectra and theoretical modeling of Li+Nen, Li+Arn and Li+Krn clusters, CHEM PHYS, 258(1), 2000, pp. 13-20
High order finite difference algorithms for solving the Schrodinger equation in molecular dynamics. II. Periodic variables
Authors: Guantes, R Farantos, SC
Citation: R. Guantes et Sc. Farantos, High order finite difference algorithms for solving the Schrodinger equation in molecular dynamics. II. Periodic variables, J CHEM PHYS, 113(23), 2000, pp. 10429-10437
The vibrational spectrum of deuterated phosphaethyne: A quantum mechanical, classical, and semiclassical analysis
Authors: Bredenbeck, J Beck, C Schinke, R Koput, J Stamatiadis, S Farantos, SC Joyeux, M
Citation: J. Bredenbeck et al., The vibrational spectrum of deuterated phosphaethyne: A quantum mechanical, classical, and semiclassical analysis, J CHEM PHYS, 112(20), 2000, pp. 8855-8865
Saddle-node bifurcations in the spectrum of HOCl
Authors: Weiss, J Hauschildt, J Grebenshchikov, SY Duren, R Schinke, R Koput, J Stamatiadis, S Farantos, SC
Citation: J. Weiss et al., Saddle-node bifurcations in the spectrum of HOCl, J CHEM PHYS, 112(1), 2000, pp. 77-93
AUTO_DERIV: Tool for automatic differentiation of a FORTRAN code
Authors: Stamatiadis, S Prosmiti, R Farantos, SC
Citation: S. Stamatiadis et al., AUTO_DERIV: Tool for automatic differentiation of a FORTRAN code, COMP PHYS C, 127(2-3), 2000, pp. 343-355
Photofragmentation spectra and potential energy surfaces of Sr+Ar2
Authors: Fanourgakis, GS Farantos, SC Luder, C Velegrakis, M Xantheas, SS
Citation: Gs. Fanourgakis et al., Photofragmentation spectra and potential energy surfaces of Sr+Ar2, PCCP PHYS C, 1(6), 1999, pp. 977-981
Exploring molecular motions in collinear HeH2+ and its isotopic variants using periodic orbits
Authors: Bhatia, P Maiti, B Sathyamurthy, N Stamatiadis, S Farantos, SC
Citation: P. Bhatia et al., Exploring molecular motions in collinear HeH2+ and its isotopic variants using periodic orbits, PCCP PHYS C, 1(6), 1999, pp. 1105-1113
HCP <-> CPH isomerization: Caught in the act
Authors: Ishikawa, H Field, RW Farantos, SC Joyeux, M Koput, J Beck, C Schinke, R
Citation: H. Ishikawa et al., HCP <-> CPH isomerization: Caught in the act, ANN R PH CH, 50, 1999, pp. 443-484
High order finite difference algorithms for solving the Schrodinger equation in molecular dynamics
Authors: Guantes, R Farantos, SC
Citation: R. Guantes et Sc. Farantos, High order finite difference algorithms for solving the Schrodinger equation in molecular dynamics, J CHEM PHYS, 111(24), 1999, pp. 10827-10835
Periodic orbit - Quantum mechanical investigation of the inversion mechanism of Ar-3
Authors: Guantes, R Nezis, A Farantos, SC
Citation: R. Guantes et al., Periodic orbit - Quantum mechanical investigation of the inversion mechanism of Ar-3, J CHEM PHYS, 111(24), 1999, pp. 10836-10842
Assigning the transition from normal to local vibrational mode in SO2 by periodic orbits
Authors: Prosmiti, R Farantos, SC Guo, H
Citation: R. Prosmiti et al., Assigning the transition from normal to local vibrational mode in SO2 by periodic orbits, CHEM P LETT, 311(3-4), 1999, pp. 241-247
Coordination of Ti cation embedded in argon clusters
Authors: Velegrakis, M Froudakis, GE Farantos, SC
Citation: M. Velegrakis et al., Coordination of Ti cation embedded in argon clusters, CHEM P LETT, 302(5-6), 1999, pp. 595-601
Periodic orbits and vibrational wave functions for DCP: nonlinear resonances in isotopically substituted molecules
Authors: Farantos, SC Beck, C Schinke, R
Citation: Sc. Farantos et al., Periodic orbits and vibrational wave functions for DCP: nonlinear resonances in isotopically substituted molecules, THEOR CH AC, 100(1-4), 1998, pp. 147-153
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