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M. Merced Montero-Campillo
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Year
Trapping CO2 by Adduct Formation with Nitrogen Heterocyclic Carbenes (NHCs): A Theoretical Study
I Alkorta, MM Montero‐Campillo, J Elguero
Chemistry–A European Journal 23 (44), 10604-10609, 2017
442017
The beryllium bond
MM Montero-Campillo, O Mó, M Yáñez, I Alkorta, J Elguero
Academic Press, 2019
412019
Cations brought together by hydrogen bonds: the protonated pyridine–boronic acid dimer explained
Í Iribarren, MM Montero-Campillo, I Alkorta, J Elguero, D Quiñonero
Physical Chemistry Chemical Physics 21 (10), 5796-5802, 2019
342019
A Density Functional Theory Study of Rhodium-Catalyzed Hetero-[5+ 2]-cycloaddition of Cyclopropyl Imine Derivatives and Alkynes
MM Montero-Campillo, EM Cabaleiro-Lago, J Rodriguez-Otero
The Journal of Physical Chemistry A 112 (38), 9068-9074, 2008
332008
Alkaline-earth (Be, Mg and Ca) bonds at the origin of huge acidity enhancements
MM Montero-Campillo, P Sanz, O Mó, M Yáñez, I Alkorta, J Elguero
Physical Chemistry Chemical Physics 20 (4), 2413-2420, 2018
312018
First-principles modelling of lithium iron oxides as battery cathode materials
M Catti, M Montero-Campillo
Journal of power sources 196 (8), 3955-3961, 2011
302011
Alkyl mercury compounds: an assessment of DFT methods
MM Montero-Campillo, AM Lamsabhi, O Mó, M Yáñez
Theoretical Chemistry Accounts 132 (3), 1328, 2013
262013
Ab initio and DFT study of the reaction mechanism of diformylketene with formamide
MM Montero-Campillo, J Rodríguez-Otero, EM Cabaleiro-Lago
The Journal of Physical Chemistry A 108 (40), 8373-8377, 2004
262004
Thermodynamic stability of PFOS: M06-2X and B3LYP comparison
T Giroday, MM Montero-Campillo, N Mora-Diez
Computational and Theoretical Chemistry 1046, 81-92, 2014
252014
Thermodynamic stability of PFOS: M06-2X and B3LYP comparison
T Giroday, MM Montero-Campillo, N Mora-Diez
Computational and Theoretical Chemistry 1046, 81-92, 2014
252014
Weak interactions get strong: Synergy between tetrel and alkaline-earth bonds
I Alkorta, MM Montero-Campillo, O Mó, J Elguero, M Yáñez
The Journal of Physical Chemistry A 123 (32), 7124-7132, 2019
242019
Modulating weak intramolecular interactions through the formation of beryllium bonds: complexes between squaric acid and BeH2
MM Montero-Campillo, AM Lamsabhi, O Mó, M Yáñez
Journal of molecular modeling 19, 2759-2766, 2013
242013
Thermodynamic stability of neutral and anionic PFOS: A gas-phase, n-octanol, and water theoretical study
MM Montero-Campillo, N Mora-Diez, AM Lamsabhi
The Journal of Physical Chemistry A 114 (37), 10148-10155, 2010
242010
Characterizing magnesium bonds: Main features of a non-covalent interaction
R Tama, O Mó, M Yáñez, MM Montero-Campillo
Theoretical Chemistry Accounts 136, 1-9, 2017
212017
Spontaneous H2 loss through the interaction of squaric acid derivatives and BeH2
MM Montero‐Campillo, M Yáñez, AM Lamsabhi, O Mó
Chemistry-A European Journal 20 (18), 5309-5316, 2014
212014
On the mechanism of rhodium-catalyzed [6+ 2] cycloaddition of 2-vinylcyclobutanones and alkenes
MM Montero-Campillo, J Rodríguez-Otero, EM Cabaleiro-Lago
Tetrahedron 64 (27), 6215-6220, 2008
212008
Binding indirect greenhouse gases OCS and CS 2 by nitrogen heterocyclic carbenes (NHCs)
MM Montero-Campillo, I Alkorta, J Elguero
Physical Chemistry Chemical Physics 20 (29), 19552-19559, 2018
202018
Modulating the Proton Affinity of Silanol and Siloxane Derivatives by Tetrel Bonds
C Martín-Fernández, MM Montero-Campillo, I Alkorta, J Elguero
The Journal of Physical Chemistry A 121 (39), 7424-7431, 2017
192017
Ternary Complexes Stabilized by Chalcogen and Alkaline‐Earth Bonds: Crucial Role of Cooperativity and Secondary Noncovalent Interactions
O Mó, MM Montero‐Campillo, I Alkorta, J Elguero, M Yáñez
Chemistry–A European Journal 25 (50), 11688-11695, 2019
182019
Theoretical study of the [2+ 2+ 2+ 1] cycloaddition mechanism of enediynes and carbon monoxide catalyzed by rhodium
MM Montero-Campillo, J Rodríguez-Otero, E Cabaleiro-Lago
The Journal of Physical Chemistry A 112 (11), 2423-2427, 2008
182008
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