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Results: 1-14 |
Results: 14
Generalized Filinov transformation of the semiclassical initial value representation
Authors: Wang, HB Manolopoulos, DE Miller, WH
Citation: Hb. Wang et al., Generalized Filinov transformation of the semiclassical initial value representation, J CHEM PHYS, 115(14), 2001, pp. 6317-6326
Coupled-channel statistical theory of the N(D-2)+H-2 and O(D-1)+H-2 insertion reactions
Authors: Rackham, EJ Huarte-Larranaga, F Manolopoulos, DE
Citation: Ej. Rackham et al., Coupled-channel statistical theory of the N(D-2)+H-2 and O(D-1)+H-2 insertion reactions, CHEM P LETT, 343(3-4), 2001, pp. 356-364
Resonance-mediated chemical reaction: F+HD -> HF+D
Authors: Skodje, RT Skouteris, D Manolopoulos, DE Lee, SH Dong, F Liu, KP
Citation: Rt. Skodje et al., Resonance-mediated chemical reaction: F+HD -> HF+D, PHYS REV L, 85(6), 2000, pp. 1206-1209
An investigation of the F+H-2 reaction based on a full ab initio description of the open-shell character of the F(P-2) atom
Authors: Alexander, MH Manolopoulos, DE Werner, HJ
Citation: Mh. Alexander et al., An investigation of the F+H-2 reaction based on a full ab initio description of the open-shell character of the F(P-2) atom, J CHEM PHYS, 113(24), 2000, pp. 11084-11100
Observation of a transition state resonance in the integral cross section of the F+HD reaction
Authors: Skodje, RT Skouteris, D Manolopoulos, DE Lee, SH Dong, F Liu, K
Citation: Rt. Skodje et al., Observation of a transition state resonance in the integral cross section of the F+HD reaction, J CHEM PHYS, 112(10), 2000, pp. 4536-4552
ABC: a quantum reactive scattering program
Authors: Skouteris, D Castillo, JF Manolopoulos, DE
Citation: D. Skouteris et al., ABC: a quantum reactive scattering program, COMP PHYS C, 133(1), 2000, pp. 128-135
van der Waals interactions in the Cl+HD reaction
Authors: Skouteris, D Manolopoulos, DE Bian, WS Werner, HJ Lai, LH Liu, KP
Citation: D. Skouteris et al., van der Waals interactions in the Cl+HD reaction, SCIENCE, 286(5445), 1999, pp. 1713-1716
Cyclic phases at an n-fold degeneracy
Authors: Manolopoulos, DE Child, MS
Citation: De. Manolopoulos et Ms. Child, Cyclic phases at an n-fold degeneracy, PHYS REV L, 82(11), 1999, pp. 2223-2227
Electric field dissociation of H-2(+): close-coupled scattering calculations
Authors: Leach, CA Child, MS Manolopoulos, DE
Citation: Ca. Leach et al., Electric field dissociation of H-2(+): close-coupled scattering calculations, MOLEC PHYS, 97(1-2), 1999, pp. 11-24
Time-dependent wave packet study of the N++H-2 reaction
Authors: Russell, CL Manolopoulos, DE
Citation: Cl. Russell et De. Manolopoulos, Time-dependent wave packet study of the N++H-2 reaction, J CHEM PHYS, 110(1), 1999, pp. 177-187
A census of nanotube caps
Authors: Brinkmann, G Fowler, PW Manolopoulos, DE Palser, AHR
Citation: G. Brinkmann et al., A census of nanotube caps, CHEM P LETT, 315(5-6), 1999, pp. 335-347
Quantum mechanical angular distributions for the F+HD reaction
Authors: Castillo, JF Manolopoulos, DE
Citation: Jf. Castillo et De. Manolopoulos, Quantum mechanical angular distributions for the F+HD reaction, FARADAY DIS, (110), 1998, pp. 119-138
General discussion
Authors: Davidson, ER Morokuma, K Nguyen, MT Allen, WD Clary, DC Handy, NC Schatz, GC Light, JC Bowman, JM Zhang, JZH Manthe, U Connor, JNL Jakubetz, W Manolopoulos, DE Kuppermann, A Taylor, PR Anderson, JB Aoiz, FJ Castillo, JF Lagana, A de Aspuru, O Tully, JC Lemoine, D Dobbyn, A Mahapatra, S Miller, WH Poirier, B Stoecklin, T Hutson, J Truhlar, DG Nyman, GBL Huarte-Larranaga, F Gimenez, X Althorpe, SC Balint-Kurti, GG Kouri, DJ Kroes, GJ Riganelli, A Goldfield, E Knowles, PJ Trindle, C Schaefer, HF
Citation: Er. Davidson et al., General discussion, FARADAY DIS, (110), 1998, pp. 207-252
Canonical purification of the density matrix in electronic-structure theory
Authors: Palser, AHR Manolopoulos, DE
Citation: Ahr. Palser et De. Manolopoulos, Canonical purification of the density matrix in electronic-structure theory, PHYS REV B, 58(19), 1998, pp. 12704-12711
Risultati: 1-14 |