Stebėti
Luis Rodríguez-Santiago
Luis Rodríguez-Santiago
Patvirtintas el. paštas uab.cat
Pavadinimas
Cituota
Cituota
Metai
Ground State of the (H2O)2+ Radical Cation:  DFT versus Post-Hartree−Fock Methods
M Sodupe, J Bertran, L Rodríguez-Santiago, EJ Baerends
The Journal of Physical Chemistry A 103 (1), 166-170, 1999
2681999
Single versus double proton-transfer reactions in Watson− Crick base pair radical cations. A theoretical study
J Bertran, A Oliva, L Rodríguez-Santiago, M Sodupe
Journal of the American Chemical Society 120 (32), 8159-8167, 1998
2391998
The different nature of bonding in Cu+-glycine and Cu2+-glycine
J Bertran, L Rodriguez-Santiago, M Sodupe
The Journal of Physical Chemistry B 103 (12), 2310-2317, 1999
2311999
Coordination of Cu+ Ions to Zeolite Frameworks Strongly Enhances Their Ability To Bind NO2. An ab Initio Density Functional Study
L Rodriguez-Santiago, M Sierka, V Branchadell, M Sodupe, J Sauer
Journal of the American Chemical Society 120 (7), 1545-1551, 1998
1121998
Crystal structure of thioflavin-T and its binding to amyloid fibrils: insights at the molecular level
C Rodríguez-Rodríguez, A Rimola, L Rodríguez-Santiago, P Ugliengo, ...
Chemical Communications 46 (7), 1156-1158, 2010
1012010
Ground and Low-Lying States of Cu2+−H2O. A Difficult Case for Density Functional Methods
J Poater, M Sola, A Rimola, L Rodriguez-Santiago, M Sodupe
The Journal of Physical Chemistry A 108 (28), 6072-6078, 2004
982004
Differences in the activation processes of phosphine-containing and Grubbs–Hoveyda-type alkene metathesis catalysts
F Nunez-Zarur, X Solans-Monfort, L Rodrı́guez-Santiago, M Sodupe
Organometallics 31 (11), 4203-4215, 2012
962012
Cation−π Interactions and Oxidative Effects on Cu+ and Cu2+ Binding to Phe, Tyr, Trp, and His Amino Acids in the Gas Phase. Insights from First-Principles …
A Rimola, L Rodríguez-Santiago, M Sodupe
The Journal of Physical Chemistry B 110 (47), 24189-24199, 2006
962006
Protonation of glycine, serine and cysteine. Conformations, proton affinities and intrinsic basicities
M Noguera, L Rodrıguez-Santiago, M Sodupe, J Bertran
Journal of Molecular Structure: Theochem 537 (1-3), 307-318, 2001
932001
Three Dimensional Models of Cu2+-Aβ(1–16) Complexes from Computational Approaches
J Alí-Torres, JD Maréchal, L Rodríguez-Santiago, M Sodupe
Journal of the American Chemical Society 133 (38), 15008-15014, 2011
782011
Gas-Phase Reactivity of Ni+ with Glycine
L Rodriguez-Santiago, M Sodupe, J Tortajada
The Journal of Physical Chemistry A 105 (22), 5340-5347, 2001
762001
Gas Phase Intramolecular Proton Transfer in Cationized Glycine and Chlorine Substituted Derivatives (M–Gly, M=Na+, Mg2+, Cu+, Ni+, and Cu2+): Existence of …
S Pulkkinen, M Noguera, L Rodríguez‐Santiago, M Sodupe, J Bertran
Chemistry–A European Journal 6 (23), 4393-4399, 2000
752000
Thioflavin-T excimer formation upon interaction with amyloid fibers
R Sabate, L Rodriguez-Santiago, M Sodupe, SJ Saupe, S Ventura
Chemical communications 49 (51), 5745-5747, 2013
712013
Computational calculations of p K a values of imidazole in Cu (II) complexes of biological relevance
J Alí-Torres, L Rodríguez-Santiago, M Sodupe
Physical Chemistry Chemical Physics 13 (17), 7852-7861, 2011
682011
Mechanistic insights into ring‐closing enyne metathesis with the second‐generation Grubbs–Hoveyda catalyst: a DFT study
F Nuñez‐Zarur, X Solans‐Monfort, L Rodríguez‐Santiago, R Pleixats, ...
Chemistry–A European Journal 17 (27), 7506-7520, 2011
672011
Intramolecular proton transfer in glycine radical cation
L Rodriguez-Santiago, M Sodupe, A Oliva, J Bertran
The Journal of Physical Chemistry A 104 (6), 1256-1261, 2000
642000
Coordination properties of the oxime analogue of glycine to Cu (II)
I Georgieva, N Trendafilova, L Rodríguez-Santiago, M Sodupe
The Journal of Physical Chemistry A 109 (25), 5668-5676, 2005
602005
The Role of Exact Exchange in the Description of Cu2+−(H2O)n (n = 1−6) Complexes by Means of DFT Methods
R Rios-Font, M Sodupe, L Rodriguez-Santiago, PR Taylor
The Journal of Physical Chemistry A 114 (40), 10857-10863, 2010
592010
Influence of the side chain in the structure and fragmentation of amino acids radical cations
A Gil, S Simon, L Rodríguez-Santiago, J Bertrán, M Sodupe
Journal of Chemical Theory and Computation 3 (6), 2210-2220, 2007
592007
Interaction of Co+ and Co2+ with glycine. A theoretical study
E Constantino, L Rodriguez-Santiago, M Sodupe, J Tortajada
The Journal of Physical Chemistry A 109 (1), 224-230, 2005
582005
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