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Physical Chemistry Chemical Physics : PCCP|May 22, 2019
Conformational analysis of enantiomerization coupled to internal rotation in triptycyl-n-helicenesAbel Carreras, Luca Fuligni, Pere Alemany, et al.The Journal of Physical Chemistry Letters|August 12, 2015
Conditional Born-Oppenheimer Dynamics: Quantum Dynamics Simulations for the Model PorphineGuillermo Albareda, Josep Maria Bofill, Ivano Tavernelli, et al.Journal of Chemical Theory and Computation|January 19, 2022
Controlling Chemical Reactivity with Optimally Oriented Electric Fields: A Generalization of the Newton Trajectory MethodJosep Maria Bofill, Wolfgang Quapp, Guillermo Albareda, et al.Physical Chemistry Chemical Physics : PCCP|September 28, 2010
Experimental cross-sections energy dependence and an ab initio electronic structure survey of the ground singlet potential surface for reactive Li(+) + n-C(3)H(7)Cl collisions at low energiesJosé María Lucas, Jaime de Andrés, Margarita Albertí, et al.Chemical Science|August 13, 2025
Controlling molecular machines via optimally oriented external electric fieldsMarco Severi, Ibério de P R Moreira, Jordi Ribas-Ariño, et al.The Journal of Chemical Physics|September 19, 2023
An algorithm to find the optimal oriented external electrostatic field for annihilating a reaction barrier in a polarizable molecular systemJosep Maria Bofill, Marco Severi, Wolfgang Quapp, et al.Journal of Chemical Theory and Computation|August 22, 2019
Interplay between the Gentlest Ascent Dynamics Method and Conjugate Directions to Locate Transition StatesJosep Maria Bofill, Jordi Ribas-Ariño, Rosendo Valero, et al.The Journal of Organic Chemistry|August 8, 2017
Experimental and Computational Evidence of the Biradical Structure and Reactivity of Titanium(IV) EnolatesCarlos Heras, Alejandro Gómez-Palomino, Pedro Romea, et al.Chemistry (Weinheim an Der Bergstrasse, Germany)|March 8, 2024
Optimal Oriented External Electric Fields to Trigger a Barrierless Oxaphosphetane Ring Opening Step of the Wittig ReactionJosep Maria Bofill, Marco Severi, Wolfgang Quapp, et al.Physical Chemistry Chemical Physics : PCCP|October 6, 2020
Quantum equilibration of the double-proton transfer in a model system porphineGuillermo Albareda, Arnau Riera, Miguel González, et al.Pageof 45