Juan Ignacio Rodríguez H.
Заглавие
Позовавания
Позовавания
Година
Theoretical Chemistry, Vrije Universiteit, Amsterdam, The Netherlands
SCM ADF2013
4362012
ADF2013, SCM, Theoretical Chemistry, Vrije Universiteit, Amsterdam, The Netherlands
EJ Baerends, T Ziegler, J Autschbach, D Bashford, A Bérces, ...
URL: http://www. scm. com, 2014
2802014
SCM, theoretical chemistry
EJ Baerends, T Ziegler, J Autschbach, D Bashford, A Bérces, ...
ADF2012 1, 2013
2022013
Chirality in bare and passivated gold nanoclusters
IL Garzón, JA Reyes-Nava, JI Rodriguez-Hernandez, I Sigal, MR Beltrán, ...
Physical Review B 66 (7), 073403, 2002
1822002
Indices for predicting the quality of leaving groups
PW Ayers, JSM Anderson, JI Rodriguez, Z Jawed
Physical Chemistry Chemical Physics 7 (9), 1918-1925, 2005
1302005
ADF2017
EJ Baerends, T Ziegler, AJ Atkins, J Autschbach, D Bashford, O Baseggio, ...
SCM, Theoretical Chemistry, 2017
1232017
Chirality, defects, and disorder in gold clusters
IL Garzón, MR Beltrán, G González, I Gutıerrez-González, K Michaelian, ...
The European Physical Journal D-Atomic, Molecular, Optical and Plasma …, 2003
1182003
A high performance grid-based algorithm for computing QTAIM properties
JI Rodríguez, RFW Bader, PW Ayers, C Michel, AW Götz, C Bo
Chemical Physics Letters 472 (1-3), 149-152, 2009
1112009
How ambiguous is the local kinetic energy?
JSM Anderson, PW Ayers, JI Rodriguez Hernandez
The Journal of Physical Chemistry A 114 (33), 8884-8895, 2010
962010
Theoretical Chemistry
EJ Baerends, J Autschbach, D Bashford, A Bérces, FM Bickelhaupt, C Bo, ...
Vrije Universiteit, Amsterdam, The Netherlands https://www. scm. com, 2006
802006
ADF2017, SCM, Theoretical Chemistry (Vrije Universiteit, Amsterdam, The Netherlands, 2017)
EJ Baerends, T Ziegler, AJ Atkins, J Autschbach, D Bashford, O Baseggio, ...
There is no corresponding record for this reference.[Google Scholar], 0
60
An efficient grid‐based scheme to compute QTAIM atomic properties without explicit calculation of zero‐flux surfaces
JI Rodríguez, AM Köster, PW Ayers, A Santos‐Valle, A Vela, G Merino
Journal of computational chemistry 30 (7), 1082-1092, 2009
532009
An efficient method for computing the QTAIM topology of a scalar field: The electron density case
JI Rodríguez
Journal of Computational Chemistry 34 (8), 681-686, 2013
392013
Virial theorem in the Kohn–Sham density-functional theory formalism: Accurate calculation of the atomic quantum theory of atoms in molecules energies
JI Rodríguez, PW Ayers, AW Götz, FL Castillo-Alvarado
The Journal of chemical physics 131 (2), 021101, 2009
362009
Numerical integration of exchange-correlation energies and potentials using transformed sparse grids
JI Rodríguez, DC Thompson, PW Ayers, AM Köster
The Journal of chemical physics 128 (22), 224103, 2008
322008
Amsterdam Density Functional, SCM, Theoretical Chemistry, Vrije Universiteit, Amsterdam, The Netherlands
EJ Baerends, T Ziegler, J Autschbach, D Bashford, A Bérces, ...
URL http://www. scm. com. Accessed 3, 17, 2006
322006
ADF2014. SCM. Theoretical Chemistry. Vrije Universiteit. Amsterdam
EJ Baerends, T Ziegler, AJ Atkins, J Autschbach, D Bashford, O Baseggio, ...
312014
Amsterdam density functional, SCM, theoretical chemistry
EJ Baerends, T Ziegler, J Autschbach, D Bashford, A Bérces, ...
Vrije Universiteit, Amsterdam, The Netherlands, URL http://www. scm. com …, 2013
292013
ADF, SCM, Theoretical Chemistry
EJ Baerends, T Ziegler, J Autschbach, D Bashford, A Bérces, ...
Vrije Universiteit, Amsterdam, 2010
23*2010
ADF2010. 01
EJ Baerends, T Ziegler, J Autschbach, D Bashford, A Bérces, ...
SCM, Theoretical Chemistry, Vrije Universiteit Amsterdam, 2010
232010
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Статии 1–20