دنبال کردن
Gloria Esperanza Moyano
Gloria Esperanza Moyano
Instituto de Química, Universidad de Antioquia
ایمیل تأیید شده در udea.edu.co
عنوان
نقل شده توسط
نقل شده توسط
سال
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
1572006
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, <?format ?>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
472003
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
452016
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
432005
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
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
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
272004
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
252011
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
172006
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
62002
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
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
42016
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
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
سیستم در حال حاضر قادر به انجام عملکرد نیست. بعداً دوباره امتحان کنید.
مقاله‌ها 1–20