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Juan I. Rodríguez
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ADF2017, SCM, Theoretical Chemistry, Vrije Universiteit, Amsterdam, The Netherlands
EJ Baerends, T Ziegler, J Autschbach, D Bashford, A Bérces, ...
URL: http://www. scm. com, 2014
4252014
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
2002002
ADF2017
EJ Baerends, T Ziegler, AJ Atkins, J Autschbach, D Bashford, O Baseggio, ...
SCM, Theoretical Chemistry, 2017
1732017
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
1492005
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
1392009
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
1322003
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
1182010
SCM, theoretical chemistry
EJ Baerends, T Ziegler, J Autschbach, D Bashford, A Bérces, ...
ADF2012 1, 2013
982013
Theoretical Chemistry
EJ Baerends, T Ziegler, AJ Atkins, J Autschbach, D Bashford, O Baseggio, ...
Vrije Universiteit, Amsterdam, The Netherlands https://www. scm. com, 2014
882014
ADF2017, SCM, Theoretical Chemistry (Vrije Universiteit, Amsterdam, The Netherlands, 2017)
EJ Baerends, T Ziegler, AJ Atkins, J Autschbach, D Bashford, O Baseggio, ...
Google Scholar There is no corresponding record for this reference, 0
85
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
662009
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
632013
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
452009
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
342006
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
332008
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
312013
ADF2017, SCM
EJ Baerends, T Ziegler, AJ Atkins, J Autschbach, O Baseggio, D Bashford, ...
Theoretical Chemistry, Vrije Universiteit, Amsterdam, The Netherlands …, 2017
272017
ADF2009. 01
EJ Baerends, J Autschbach, D Bashford, A Bérces, FM Bickelhaupt, C Bo, ...
SCM, Theoretical Chemistry, VrijeUniversiteit, Amsterdam, The Netherlands, 2009
252009
Theoretical Chemistry, Vrije Universiteit, Amsterdam, The Netherlands
EJ Baerends, T Ziegler, AJ Atkins, J Autschbach, D Bashford, O Baseggio, ...
192019
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