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Gloria Esperanza Moyano
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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 73 (6), 064112, 2006
1542006
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
1022001
Properties of Small- to Medium-Sized Mercury Clusters from a Combined ab initio, Density-Functional, and Simulated-Annealing Study
GE Moyano, R Wesendrup, T Söhnel, P Schwerdtfeger
Physical review letters 89 (10), 103401, 2002
642002
Interpolated potential energy surface and classical dynamics for and
GE Moyano, MA Collins
The Journal of chemical physics 119 (11), 5510-5517, 2003
452003
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
432016
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
422005
Lattice dynamics for fcc rare gas solids Ne, Ar, and Kr from ab initio potentials
GE Moyano, P Schwerdtfeger, K Rosciszewski
Physical Review B 75 (2), 024101, 2007
412007
Molecular potential energy surfaces by interpolation: Strategies for faster convergence
GE Moyano, MA Collins
The Journal of chemical physics 121 (20), 9769-9775, 2004
282004
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
242011
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
242004
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
162006
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, 2002
62002
Melting of Lennard-Jones rare-gas clusters doped with a single impurity atom
N Quesada, GE Moyano
Physical Review B 82 (5), 054104, 2010
52010
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
32016
OCS isomerization and dissociation kinetics from statistical models
GA Lara-Cruz, GE Moyano
Theoretical Chemistry Accounts 137 (6), 79, 2018
22018
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
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
Interpolated Potential Energy Surfaces for Theoretical Studies on the Dynamics of Interstellar Reactions
GE Moyano, MA Collins
Astrochemistry: Recent Successes and Current Challenges 231, 41, 2005
2005
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