Juan Santos
Juan Santos
Profesor Fisicoquímica
Verified email at edu.uai.cl
Title
Cited by
Cited by
Year
Sigma–pi separation of the electron localization function and aromaticity
JC Santos, W Tiznado, R Contreras, P Fuentealba
The Journal of chemical physics 120 (4), 1670-1673, 2004
1962004
An aromaticity scale based on the topological analysis of the electron localization function including σ and π contributions
JC Santos, J Andres, A Aizman, P Fuentealba
Journal of chemical theory and computation 1 (1), 83-86, 2005
1482005
Borazine: to be or not to be aromatic
R Islas, E Chamorro, J Robles, T Heine, JC Santos, G Merino
Structural Chemistry 18 (6), 833-839, 2007
1392007
An electron localization function study of the trimerization of acetylene: Reaction mechanism and development of aromaticity
JC Santos, V Polo, J Andrés
Chemical physics letters 406 (4-6), 393-397, 2005
592005
A theoretical study on the reaction mechanism for the Bergman cyclization from the perspective of the electron localization function and catastrophe theory
JC Santos, J Andres, A Aizman, P Fuentealba, V Polo
The Journal of Physical Chemistry A 109 (16), 3687-3693, 2005
582005
Understanding and using the electron localization function
P Fuentealba, E Chamorro, JC Santos
Theoretical and Computational Chemistry 19, 57-85, 2007
552007
Aromaticity and electronic structure of silabenzenes. Possible existence of a new cluster Si6Li6
JC Santos, P Fuentealba
Chemical physics letters 443 (4-6), 439-442, 2007
512007
The Markovnikov regioselectivity rule in the light of site activation models
A Aizman, R Contreras, M Galván, A Cedillo, JC Santos, E Chamorro
The Journal of Physical Chemistry A 106 (34), 7844-7849, 2002
342002
A theoretical scale for pericyclic and pseudopericyclic reactions
E Chamorro, R Notario, JC Santos, P Pérez
Chemical physics letters 443 (1-3), 136-140, 2007
332007
Scrutiny of the HSAB Principle in Some Representative Acid− Base Reactions
PK Chattaraj, B Gómez, E Chamorro, J Santos, P Fuentealba
The Journal of Physical Chemistry A 105 (38), 8815-8820, 2001
322001
Topological analysis of the electron localization function applied to the study of the [1, 3] sigmatropic shift of fluorine in 3-fluorpropene
E Chamorro, JC Santos, B Gómez, R Contreras, P Fuentealba
The Journal of Chemical Physics 114 (1), 23-34, 2001
292001
Fine structure in the transition region: reaction force analyses of water-assisted proton transfers
D Yepes, JS Murray, JC Santos, A Toro-Labbé, P Politzer, P Jaque
Journal of molecular modeling 19 (7), 2689-2697, 2013
272013
The bonding nature of some simple sigmatropic transition states from the topological analysis of the electron localization function
E Chamorro, JC Santos, B Gómez, R Contreras, P Fuentealba
The Journal of Physical Chemistry A 106 (47), 11533-11539, 2002
272002
Theoretical analysis based on X–H bonding strength and electronic properties in red-and blue-shifting hydrogen-bonded X–H⋯ π complexes
O Donoso-Tauda, P Jaque, JC Santos
Physical Chemistry Chemical Physics 13 (4), 1552-1559, 2011
262011
Electrophilicity and spin polarization of simple substituted silylenes
E Chamorro, JC Santos, CA Escobar, P Pérez
Chemical physics letters 431 (1-3), 210-215, 2006
262006
Local reactivity index defined through the density of states describes the basicity of alkaline-exchanged zeolites
JC Santos, R Contreras, E Chamorro, P Fuentealba
The Journal of chemical physics 116 (10), 4311-4316, 2002
232002
Theoretical Aspects of Chemical Reactivity
P Fuentealba, E Chamorro, JC Santos
Elsevier, 2007
212007
Structure and stability of Si6Li6: Aromaticity vs polarizability
JC Santos, M Contreras, G Merino
Chemical Physics Letters 496 (1-3), 172-174, 2010
202010
Theoretical characterization of linear [n]-ladderanes and some isomers
JC Santos, P Fuentealba
Chemical physics letters 377 (3-4), 449-454, 2003
192003
Structure and stability of the Si4Lin (n= 1–7) binary clusters
E Osorio, V Villalobos, JC Santos, KJ Donald, G Merino, W Tiznado
Chemical Physics Letters 522, 67-71, 2012
152012
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Articles 1–20