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Roberto Álvarez Boto
Roberto Álvarez Boto
Donostia International Physics Center (DIPC)
Verified email at ehu.eus
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Cited by
Cited by
Year
The Houk–List transition states for organocatalytic mechanisms revisited
A Armstrong, RA Boto, P Dingwall, J Contreras-Garcia, MJ Harvey, ...
Chemical Science 5 (5), 2057-2071, 2014
1802014
NCIPLOT4: fast, robust, and quantitative analysis of noncovalent interactions
RA Boto, F Peccati, R Laplaza, C Quan, A Carbone, JP Piquemal, ...
Journal of Chemical Theory and Computation 16 (7), 4150-4158, 2020
1652020
Interpretation of the reduced density gradient
RA Boto, J Contreras-García, J Tierny, JP Piquemal
Molecular Physics 114 (7-8), 1406-1414, 2016
1482016
A benchmark for the non-covalent interaction (NCI) index or… is it really all in the geometry?
J Contreras-García, RA Boto, F Izquierdo-Ruiz, I Reva, T Woller, M Alonso
Theoretical Chemistry Accounts 135, 1-14, 2016
1392016
Nine questions on energy decomposition analysis
J Andrés, PW Ayers, RA Boto, R Carbó‐Dorca, H Chermette, J Cioslowski, ...
Journal of Computational Chemistry 40 (26), 2248-2283, 2019
1272019
Revealing strong interactions with the reduced density gradient: a benchmark for covalent, ionic and charge-shift bonds
RA Boto, JP Piquemal, J Contreras-García
Theoretical Chemistry Accounts 136, 1-9, 2017
1192017
Characterizing molecular interactions in chemical systems
D Günther, RA Boto, J Contreras-Garcia, JP Piquemal, J Tierny
IEEE transactions on visualization and computer graphics 20 (12), 2476-2485, 2014
1052014
Exchange rules for diradical π-conjugated hydrocarbons
R Ortiz, RA Boto, N García-Martínez, JC Sancho-Garcia, M Melle-Franco, ...
Nano Letters 19 (9), 5991-5997, 2019
732019
A complete NCI perspective: from new bonds to reactivity
C Narth, Z Maroun, RA Boto, R Chaudret, ML Bonnet, JP Piquemal, ...
Applications of Topological Methods in Molecular Chemistry, 491-527, 2016
542016
One‐electron images in real space: Natural adaptive orbitals
M Menéndez, R Alvarez Boto, E Francisco, A Martin Pendas
Journal of computational chemistry 36 (11), 833-843, 2015
502015
How strong are the metallocene–metallocene interactions? Cases of ferrocene, ruthenocene, and osmocene
A Vargas-Caamal, S Pan, F Ortiz-Chi, JL Cabellos, RA Boto, ...
Physical Chemistry Chemical Physics 18 (1), 550-556, 2016
462016
A hierarchy of chemical bonding indices in real space from reduced density matrices and cumulants
E Francisco, AM Pendás, M García-Revilla, RÁ Boto
Computational and Theoretical Chemistry 1003, 71-78, 2013
412013
Singlet Fission in Pyrene‐Fused Azaacene Dimers
JP Mora‐Fuentes, I Papadopoulos, D Thiel, R Álvarez‐Boto, ...
Angewandte Chemie 132 (3), 1129-1133, 2020
332020
Applications of Topological Methods in Molecular Chemistry
C Narth, Z Maroun, RA Boto, R Chaudret, ML Bonnet, JP Piquemal, ...
A complete NCI perspective: from new bonds to reactivity, 491-527, 2016
302016
Addressing molecular optomechanical effects in nanocavity-enhanced Raman scattering beyond the single plasmonic mode
Y Zhang, R Esteban, RA Boto, M Urbieta, X Arrieta, CX Shan, S Li, ...
Nanoscale 13 (3), 1938-1954, 2021
272021
the analysis of Noncovalent Interactions using the Reduced Density Gradient
R Laplaza, F Peccati, RA Boto, C Quan, A Carbone, JP Piquemal, ...
Wiley Interdiscip. Rev. Comput. Mol. Sci 11, e1497, 2021
182021
NCIPLOT4: A new step towards a fast quantification of noncovalent interactions
R Boto, F Peccati, 矇nLaplazaRub, A Carbone, JP Piquemal, Y Maday
182020
Steric clash in real space: biphenyl revisited
R Laplaza, RA Boto, J Contreras-García, MM Montero-Campillo
Physical Chemistry Chemical Physics 22 (37), 21251-21256, 2020
172020
The role of dispersion forces in metal-supported self-assembled monolayers
RA Boto, J Contreras-García, M Calatayud
Computational and Theoretical Chemistry 1053, 322-327, 2015
152015
, K. Szalewicz, V. Tognetti, F. Weinhold and É.-L. Zins
J Andrés, PW Ayers, RA Boto, R Carbó-Dorca, H Chermette, J Cioslowski, ...
J. Comput. Chem 40, 2248-2283, 2019
102019
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