Extension of the Lennard-Jones potential: Theoretical investigations into rare-gas clusters and crystal lattices of He, Ne, Ar, and Kr using many-body interaction expansions P Schwerdtfeger, N Gaston, RP Krawczyk, R Tonner, GE Moyano Physical Review B—Condensed Matter and Materials Physics 73 (6), 064112, 2006 | 157 | 2006 |
The potential energy curve and dipole polarizability tensor of mercury dimer P Schwerdtfeger, R Wesendrup, GE Moyano, AJ Sadlej, J Greif, F Hensel The Journal of Chemical Physics 115 (16), 7401-7412, 2001 | 102 | 2001 |
Properties of Small- to Medium-Sized Mercury Clusters from a Combined ab initio, <?format ?>Density-Functional, and Simulated-Annealing Study GE Moyano, R Wesendrup, T Söhnel, P Schwerdtfeger Physical review letters 89 (10), 103401, 2002 | 64 | 2002 |
Interpolated potential energy surface and classical dynamics for and GE Moyano, MA Collins The Journal of chemical physics 119 (11), 5510-5517, 2003 | 47 | 2003 |
Towards J/mol accuracy for the cohesive energy of solid argon P Schwerdtfeger, R Tonner, GE Moyano, E Pahl Angewandte Chemie International Edition 55 (40), 12200-12205, 2016 | 45 | 2016 |
Interpolated potential energy surface for abstraction and exchange reactions of NH 3 + H and deuterated analogues GE Moyano, MA Collins Theoretical Chemistry Accounts 113, 225-232, 2005 | 43 | 2005 |
Lattice dynamics for fcc rare gas solids Ne, Ar, and Kr from ab initio potentials GE Moyano, P Schwerdtfeger, K Rosciszewski Physical Review B—Condensed Matter and Materials Physics 75 (2), 024101, 2007 | 41 | 2007 |
Molecular potential energy surfaces by interpolation: Strategies for faster convergence GE Moyano, MA Collins The Journal of chemical physics 121 (20), 9769-9775, 2004 | 28 | 2004 |
Interpolated potential energy surfaces and dynamics for atom exchange between H and and D and GE Moyano, D Pearson, MA Collins The Journal of chemical physics 121 (24), 12396-12401, 2004 | 27 | 2004 |
An atomistic fourth-order virial equation of state for argon from first principles calculations J Wiebke, P Schwerdtfeger, GE Moyano, E Pahl Chemical Physics Letters 514 (1-3), 164-167, 2011 | 25 | 2011 |
Ab initio interpolated potential energy surface and classical reaction dynamics for HCO++ H, HOC++ H, and deuterated analogues GE Moyano, SA Jones, MA Collins The Journal of chemical physics 124 (12), 2006 | 17 | 2006 |
Erratum:“The potential energy curve and dipole polarizability tensor of mercury dimer”[J. Chem. Phys. 115, 7401 (2001)] P Schwerdtfeger, R Wesendrup, GE Moyano, AJ Sadlej, J Greif, F Hensel The Journal of Chemical Physics 117 (14), 6881-6881, 2002 | 6 | 2002 |
Melting of Lennard-Jones rare-gas clusters doped with a single impurity atom N Quesada, GE Moyano Physical Review B—Condensed Matter and Materials Physics 82 (5), 054104, 2010 | 5 | 2010 |
Hochgenaue Berechnung der Kohäsionsenergie von festem Argon mit Abweichungen im J/mol‐Bereich P Schwerdtfeger, R Tonner, GE Moyano, E Pahl Angewandte Chemie 128 (40), 12387-12392, 2016 | 4 | 2016 |
OCS isomerization and dissociation kinetics from statistical models GA Lara-Cruz, GE Moyano Theoretical Chemistry Accounts 137 (6), 79, 2018 | 2 | 2018 |
Simulación de nanomateriales mediante métodos tipo monte carlo GE Moyano, N Quesada FORMACIÓN Y MODELACIÓN EN CIENCIAS BÁSICAS, 294, 2012 | | 2012 |
Programas para la simulación numérica de nanoagregados. Cálculo de propiedades termodinámicas en plataforma distribuidas N Quesada, GE Moyano Universidad de Antioquia, 2011 | | 2011 |
Structure, structural phase transitions, mechanical properties, defects-Lattice dynamics for fcc rare gas solids Ne, Ar, and Kr from ab initio potentials GE Moyano, P Schwerdtfeger, K Rosciszewski Physical Review B Condensed Matter And Materials Physics 75 (2), 24101, 2007 | | 2007 |
Structure, structural phase transitions, mechanical properties, defects-Extension of the Lennard-Jones potential: Theoretical investigations into rare-gas clusters and crystal … P Schwerdtfeger, N Gaston, RP Krawczyk, R Tonner, GE Moyano Physical Review-Section B-Condensed Matter 73 (6), 64112-64112, 2006 | | 2006 |
Molecular potential energy surfaces. MA Collins, GE Moyano, CR Evenhuis, V Deev ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 229, U773-U773, 2005 | | 2005 |