Conference proceedings

Transition Metal Catalysis Without Environment Effects. What to Expect
Carlos Silva López, Olalla Nieto Faza
XXXVI Reunión Bienal de la RSEQ
Sitges (Spain), June 25^th-29^th, 2017

Exploring The Limits Of Concertness: An Orchestra Of Terpenoid Carbocations
Marta Castiñeira Reis, Dean Tantillo, Carlos Silva López, Olalla Nieto Faza
XXXVI Reunión Bienal de la RSEQ
Sitges (Spain), June 25^th-29^th, 2017

Computational Design Of New Catalysts For Biomass Valorization
Marta Castiñeira Reis, Luis Carlos de Vicente Poutás, Marta Marín Luna, Carlos Silva López, Olalla Nieto Faza
XXXVI Reunión Bienal de la RSEQ
Sitges (Spain), June 25^th-29^th, 2017

Potential Energy Landscape And Spectroscopical Characterization Of Aza-Nanohoops: Promising Structures For Gas Capture
Angel Vidal Vidal, Olalla Nieto Faza, Carlos Silva López
XXXVI Reunión Bienal de la RSEQ
Barcelona (Spain), September 4^th-7^th, 2017

Cajas misteriosas como herramienta de motivación: una vision constructivista a través de casos de toxicología forense
Ángel Vidal Vidal, Olalla Nieto Faza, Carlos Silva López
XXIII Encontro Galego-Portugués de Química
Ferrol (Spain), November 15^th-17^th, 2017

 

---

Single Photon Initiated Decomposition Rearrangement Reactions (SPIDRR) of organic molecules mediated by the Ni^{+ cation}
Darrin Bellert, Adam Mansell, Zachry Theis, Michael Gutierrez, Carlos Silva López, Olalla Nieto Faza
26^th Austin Symposium on Molecular Structure and Dynamics
Dallas (USA), March 5^th-7^th, 2016

 

---

A computational approach to selection rules in organic chemistry
Olalla Nieto Faza, Carlos Silva López, Roberto Villar López
25^th Austin Symposium on Molecular Structure and Dynamics
Dallas (USA), March 1^st-4^th, 2014

Unexpected Isomerization in a N-Heterocyclic Carbene Frustrated Base
Carlos Silva López, Olalla Nieto Faza, Samuel Dagorne
25^th Austin Symposium on Molecular Structure and Dynamics
Dallas (USA), March 1^st-4^th, 2014

On the Crabbé Homologation of Terminla Alkynes. Limitations and Scope of New Catalysts
Marta González Comesaña, Olalla Nieto Faza, Magdalena Cid Fernández, Carlos Silva López
9^th Congress on Electronic Structure, Principles and Applications (ESPA 2014)
Badajoz (Spain), July 2^nd-4^th, 2014

 

---

Selection Rules in Radical Cyclizations
Roberto Villar, Carlos Silva López, Olalla Nieto Faza
XXXIV Reunión Bienal de la RSEQ
Santander (Spain), September 15^th-18^th, 2013

Surveying The Mechanism Of Kinamycin Cytotoxicity
Carlos Silva López, Roi Alvarez Rodriguez, Olalla Nieto Faza
XXXIV Reunión Bienal de la RSEQ
Santander (Spain), September 15^th-18^th, 2013

Computational Insights Into Gold-Catalyzed Cross-Coupling Reactions
Olalla Nieto Faza, Carlos Silva López
XXXIV Reunión Bienal de la RSEQ
Santander (Spain), September 15^th-18^th, 2013

 

---

A computational approach to selection rules in organic chemistry
Olalla Nieto Faza, Carlos Silva López, Angel R. de Lera, Roberto Villar López
24^th Austin Symposium on Molecular Structure and Dynamics
Dallas (USA), March 3^rd-6^th, 2012

Modeling copper catalysis to synthesize heterocyclic alkaloids. A story of synergistic collaboration between theory and experiment
Carlos Silva López, Olalla Nieto Faza
24^th Austin Symposium on Molecular Structure and Dynamics
Dallas (USA), March 3^rd-6^th, 2012

On the Ni and Co-Mediated Mechanism of Acetone Decomposition
Carlos Silva López, Olalla Nieto Faza
8^th Congress on Electronic Structure, Principles and Applications (ESPA 2012)
Barcelona (Spain), June 26^th-29^th, 2012

Stepwise mechanism for the Au-catalyzed cyclization of monoallylic diols
Olalla Nieto Faza, Carlos Silva López
8^th Congress on Electronic Structure, Principles and Applications (ESPA 2012)
Barcelona (Spain), June 26^th-29^th, 2012

Mechanism of Metal Catalyzed Propargyl Ester Migrations
Antón Brión Rios, Olalla Nieto Faza, Carlos Silva López
8^th Congress on Electronic Structure, Principles and Applications (ESPA 2012)
Barcelona (Spain), June 26^th-29^th, 2012

 

---

Computational Exploration of the Five-Bond-Breaking Catalytic Mechanism
Carlos Silva López, Olalla Nieto Faza
World Association of Theoretical and Computational Chemists (WATOC)
Santiago de Compostela (Spain), July 17^th-22^th, 2011

Homogeneous catalysis with just gold. A Mechanistic study
Olalla Nieto Faza, Carlos Silva López
World Association of Theoretical and Computational Chemists (WATOC)
Santiago de Compostela (Spain), July 17^th-22^th, 2011

Computational Study of the Mechanism of Formation of b-Lacamts from O-Propargyl Arylaldoximes
Carlos Silva López, Olalla Nieto Faza
XXXIII Reunión Bienal de la RSEQ
Valencia (Spain), July 25^th-28^th, 2011

Modeling Homogeneous Gold Catalysis
Olalla Nieto Faza, Carlos Silva López
XXXIII Reunión Bienal de la RSEQ
Valencia (Spain), July 25^th-28^th, 2011

 

---

Estudio computacional del mecanismo de formación de B-Lactamas a partir de O-Propargil Arilaldoximas
Olalla Nieto Faza, Carlos Silva López
Segundo Encuentro Gallego de Cinética y Catálisis (II ECG2)
Lugo (Spain), January 29^th-31^th, 2010

Sinergia entre experimento y computación: nuevas herramientas sintéticas para la preparación de alcaloides con actividad biológica
Carlos Silva López, Olalla Nieto Faza
Segundo Encuentro Gallego de Cinética y Catálisis (II ECG2)
Lugo (Spain), January 29^th-31^th, 2010

Theoretical and Experimental Study of Resveratrol Photoisomerization: Characterization of 2,4,6-trihydroxyphenanthrene as a Photoproductv
Roi Alvarez, Inma R. Lahoz, Olalla Nieto Faza, Magdalena Cid, Carlos Silva López
23 Reunión Bienal de Química Orgánica
Murcia (Spain), June 16^th-18^th, 2010

Computational Studies in Homogeneous Gold Catalysis
Olalla Nieto Faza, Roi Alvarez Rodriguez, Carlos Silva López
II Simposio Iberoamericano de Química Orgánica (SIBEAQO II)
Santiago de Compostela (Spain), September 8^th-12^th, 2010

 

---

Electrocyclic ring opening of fused cyclobutenes. The Anti-Woorward-Hoffmann Quest
Carlos Silva López, Olalla Nieto Faza, Angel R. de Lera
42^nd IUPAC Congress
Glasgow (UK), August 2^nd-7^th, 2009

Synthesis of indolizines from 2-enynylpyridines via a pseudocoarctate reaction
Magdalena Cid, Inma R. Lahoz, Cristina Sicre, Armando Navarro-Vázquez, Carlos Silva López
10^th Tetrahedron Symposium
Paris (France), January 23^th-26^th, 2009

 

---

Torquoselectivity in the electrocyclic ring-opening of cyclopropyl anions
Olalla Nieto Faza, Adán González Pérez, Martín Pérez Rodríguez, Carlos Silva López, Angel R. de Lera
19^th IUPAC Conference on Physical Organic Chemistry (ICPOC)
Santiago de Compostela (Spain), July 13^th-18^th, 2008

Thermal Isomerization of 11-cis-Retinal. An Unexpected Manifold
Carlos Silva López, Rosana Alvarez, Marta Domínguez, Olalla Nieto Faza, Angel R. de Lera
World Association of Theoretical and Computational Chemists (WATOC)
Sydney (Australia), September 14^th-19^th, 2008

Complexity under Control: A Theoretical Mechanistic Study of Gold and Platinum Catalyzed Rearrangements
Olalla Nieto Faza, Carlos Silva López, Adán B. González, Angel R. de Lera
World Association of Theoretical and Computational Chemists (WATOC)
Sydney (Australia), September 14^th-19^th, 2008

Estudio computacional de la isomerización fotoquímica de derivados del estilbeno
Roi Alvarez Rodriguez, Carlos Silva López, Olalla Nieto Faza
Encuentro Gallego de Cinética y Catálisis (ECG2)
Ourense (Spain), December 12^th-14^th, 2008

Selectividad en reacciones catalizadas por oro
Olalla Nieto Faza, Carlos Silva López, Angel R. de Lera
Encuentro Gallego de Cinética y Catálisis (ECG2)
Ourense (Spain), December 12^th-14^th, 2008

Mecanismo de Catálisis de la Ribozima Hammerhead
Carlos Silva López, Tai-Sung Lee, Darrin M. York
Encuentro Gallego de Cinética y Catálisis (ECG2)
Ourense (Spain), December 12^th-14^th, 2008

 

---

Theoretical Study of Bis(Pseudo)Pericyclic Reactions in Symmetrical Azines
Adan González Pérez, Carlos Silva López, Olalla Nieto Faza, Angel R. de Lera
Electronic Structure, Principles and Applications (ESPA)
Santiago de Compostela (Spain), July 18^th-21^th, 2006

 

---

Artificial pigments of bacteriorodopsin with N-heterocyclic aromatic retinal analogues
Rosana Simón, Susana López; Virginia Rodríguez; Javier Montenegro; Carlos Saá; Angel R. De Lera; Rosana Álvarez; Carlos Silva; Tzvetana Lazarova; Esteve Padrós
VI^th European Symposium of the Protein Society
Barcelona (Spain), April 30^th – May 4^th, 2005

 

---

Synthesis and biological evaluation of new merocyanine-type retinal analogues
Susana López; Virginia Rodríguez; Javier Montenegro; Carlos Saá; Angel R. De Lera; Rosana Álvarez; Carlos Silva; Esteve Padrós; Rosana Simón
12^th FECHEM Conference on Heterocycles in Bio-organic Chemistry
Siena (Italy), June 20^th-24^th, 2004

Mechanistic characterization of the hydrolysis of methyl ethylene phosphate and the phosphoryl transfer reaction catalyzed by phosphoglucomutase
Olalla Nieto Faza, Carlos Silva López, Angel R. de Lera, Darrin M. York
Computational Chemical Dynamics: from gas-phase to condensed-phase systems
Minneapolis (USA), October 7^th-9^th, 2004

Phosphate hydrolysis in solution and the transphosphorilation in phosphoglucomutase
Olalla Nieto Faza, Carlos Silva López, Angel R. de Lera, Darrin M. York
Computational Chemical Dynamics: from gas-phase to condensed-phase systems
Minneapolis (USA), October 7^th-9^th, 2004

Pseudorotation of natural and chemically modified biological phosphoranes: implications for RNA catalysis
Carlos Silva López, Olalla Nieto Faza, Angel R. de Lera, Darrin M. York
Computational Chemical Dynamics: from gas-phase to condensed-phase systems
Minneapolis (USA), October 7^th-9^th, 2004

 

---