David Manolopoulos
David Manolopoulos
Verified email at chem.ox.ac.uk - Homepage
Title
Cited by
Cited by
Year
An atlas of fullerenes
PW Fowler, DE Manolopoulos
Courier Corporation, 2007
19762007
An improved log derivative method for inelastic scattering
DE Manolopoulos
The Journal of chemical physics 85 (11), 6425-6429, 1986
6621986
Quantum statistics and classical mechanics: Real time correlation functions from ring polymer molecular dynamics
IR Craig, DE Manolopoulos
The Journal of chemical physics 121 (8), 3368-3373, 2004
6142004
ABC: a quantum reactive scattering program
D Skouteris, JF Castillo, DE Manolopoulos
Computer Physics Communications 133 (1), 128-135, 2000
4852000
Ring-polymer molecular dynamics: Quantum effects in chemical dynamics from classical trajectories in an extended phase space
S Habershon, DE Manolopoulos, TE Markland, TF Miller III
Annual review of physical chemistry 64, 387-413, 2013
4602013
Theoretical studies of the fullerenes: C34 to C70
DE Manolopoulos, JC May, SE Down
Chemical physics letters 181 (2), 105-111, 1991
4581991
Competing quantum effects in the dynamics of a flexible water model
S Habershon, TE Markland, DE Manolopoulos
The journal of chemical physics 131 (2), 024501, 2009
4222009
A stable linear reference potential algorithm for solution of the quantum close‐coupled equations in molecular scattering theory
MH Alexander, DE Manolopoulos
The Journal of chemical physics 86 (4), 2044-2050, 1987
3731987
Molecular graphs, point groups, and fullerenes
DE Manolopoulos, PW Fowler
The Journal of chemical physics 96 (10), 7603-7614, 1992
3491992
Chemical reaction rates from ring polymer molecular dynamics
IR Craig, DE Manolopoulos
The Journal of chemical physics 122 (8), 084106, 2005
3212005
Resonance-mediated chemical reaction: F+HD → HF+D
RT Skodje, D Skouteris, DE Manolopoulos, SH Lee, F Dong, K Liu
Physical review letters 85 (6), 1206, 2000
3042000
van der Waals Interactions in the Cl+HD Reaction
D Skouteris, DE Manolopoulos, W Bian, HJ Werner, LH Lai, K Liu
Science 286 (5445), 1713-1716, 1999
2991999
The transition state of the F+H2 reaction
DE Manolopoulos, K Stark, HJ Werner, DW Arnold, SE Bradforth, ...
Science-AAAS-Weekly Paper Edition-including Guide to Scientific Information …, 1993
2921993
An investigation of the F+H2 reaction based on a full ab initio description of the open-shell character of the F(2P) atom
MH Alexander, DE Manolopoulos, HJ Werner
The Journal of Chemical Physics 113, 11084, 2000
2902000
Quantum mechanical angular distributions for the F+H2 reaction
JF Castillo, DE Manolopoulos, K Stark, HJ Werner
The Journal of chemical physics 104, 6531, 1996
2681996
Quantum scattering via the log derivative version of the Kohn variational principle
DE Manolopoulos, RE Wyatt
Chemical physics letters 152 (1), 23-32, 1988
2561988
Derivation and reflection properties of a transmission-free absorbing potential
DE Manolopoulos
The Journal of chemical physics 117 (21), 9552-9559, 2002
2522002
A refined ring polymer molecular dynamics theory of chemical reaction rates
IR Craig, DE Manolopoulos
The Journal of chemical physics 123 (3), 034102, 2005
2412005
Observation of a transition state resonance in the integral cross section of the F+HD reaction
RT Skodje, D Skouteris, DE Manolopoulos, SH Lee, F Dong, K Liu
The Journal of Chemical Physics 112, 4536, 2000
2412000
Efficient stochastic thermostatting of path integral molecular dynamics
M Ceriotti, M Parrinello, TE Markland, DE Manolopoulos
The Journal of chemical physics 133 (12), 124104, 2010
2342010
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