David Manolopoulos

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37 artikel

6 artikel

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Michele CeriottiAssociate Professor at EPFL, Institute of MaterialsEmail yang diverifikasi di epfl.ch
Scott HabershonProfessor, Department of Chemistry, University of Warwick, UKEmail yang diverifikasi di warwick.ac.uk
Thomas MarklandAssociate Professor of Chemistry, Stanford UniversityEmail yang diverifikasi di stanford.edu
Thomas MillerCalifornia Institute of TechnologyEmail yang diverifikasi di caltech.edu
Jesus F. CastilloProfessor of Physical Chemistry, Universidad Complutense de MadridEmail yang diverifikasi di ucm.es
Joseph E. LawrenceNew York UniversityEmail yang diverifikasi di nyu.edu
Thomas FayAix-Marseille UniversitéEmail yang diverifikasi di univ-amu.fr
Lachlan P LindoyNational Physical LaboratoryEmail yang diverifikasi di npl.co.uk
Alan M. LewisLecturer (Assistant Professor), University of YorkEmail yang diverifikasi di york.ac.uk
Rosana Collepardo-GuevaraProfessor of Computational and Molecular Biophysics, U of CambridgeEmail yang diverifikasi di cam.ac.uk
Tomás González-LezanaInstituto de Física Fundamental - CSICEmail yang diverifikasi di csic.es
David M WilkinsQueen's University BelfastEmail yang diverifikasi di qub.ac.uk
Mariana RossiHead of Independent Lise Meitner Group, MPI for Structure and Dynamics of Matter, HamburgEmail yang diverifikasi di mpsd.mpg.de
Johan E. RunesonResearch Associate, University of FreiburgEmail yang diverifikasi di physik.uni-freiburg.de
Annina Z LieberherrPhD student, University of OxfordEmail yang diverifikasi di chem.ox.ac.uk
Yury Suleymanov

Ikuti

David Manolopoulos

University of Oxford

Email yang diverifikasi di chem.ox.ac.uk - Beranda

Theoretical Chemistry


Judul Urutkan menurut kutipan Urutkan menurut tahun Urutkan menurut judul	Dikutip oleh Dikutip oleh	Tahun
An atlas of fullerenes PW Fowler, DE Manolopoulos Courier Corporation, 2007	2234	2007
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	930	2004
An improved log derivative method for inelastic scattering DE Manolopoulos The Journal of chemical physics 85 (11), 6425-6429, 1986	796	1986
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 (1), 387-413, 2013	751	2013
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	598	2009
Theoretical studies of the fullerenes: C34 to C70 DE Manolopoulos, JC May, SE Down Chemical physics letters 181 (2), 105-111, 1991	549	1991
ABC: a quantum reactive scattering program D Skouteris, JF Castillo, DE Manolopoulos Computer Physics Communications 133 (1), 128-135, 2000	544	2000
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	459	1987
Chemical reaction rates from ring polymer molecular dynamics IR Craig, DE Manolopoulos The Journal of chemical physics 122 (8), 2005	448	2005
Efficient stochastic thermostatting of path integral molecular dynamics M Ceriotti, M Parrinello, TE Markland, DE Manolopoulos The Journal of chemical physics 133 (12), 2010	420	2010
Molecular graphs, point groups, and fullerenes DE Manolopoulos, PW Fowler The Journal of chemical physics 96 (10), 7603-7614, 1992	395	1992
i-PI 2.0: A universal force engine for advanced molecular simulations V Kapil, M Rossi, O Marsalek, R Petraglia, Y Litman, T Spura, B Cheng, ... Computer Physics Communications 236, 214-223, 2019	360	2019
A refined ring polymer molecular dynamics theory of chemical reaction rates IR Craig, DE Manolopoulos The Journal of chemical physics 123 (3), 2005	357	2005
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	330	2000
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	326	1999
Derivation and reflection properties of a transmission-free absorbing potential DE Manolopoulos The Journal of chemical physics 117 (21), 9552-9559, 2002	324	2002
i-PI: A Python interface for ab initio path integral molecular dynamics simulations M Ceriotti, J More, DE Manolopoulos Computer Physics Communications 185 (3), 1019-1026, 2014	316	2014
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	314	2000
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	300	1993
Quantum scattering via the log derivative version of the Kohn variational principle DE Manolopoulos, RE Wyatt Chemical physics letters 152 (1), 23-32, 1988	286	1988

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