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Physical Chemistry Chemical Physics : PCCP|April 18, 2024
One- and two-photon absorption spectra of organoboron complexes: vibronic and environmental effectsElizaveta F Petrusevich, Heribert Reis, Borys Ośmiałowski, et al.Journal of Chemical Theory and Computation|November 22, 2015
A Full Dimensionality Approach to Evaluate the Nonlinear Optical Properties of Molecules with Large Amplitude Anharmonic Tunneling MotionsMarc Garcia-Borràs, Miquel Solà, David Lauvergnat, et al.Journal of Chemical Theory and Computation|March 2, 2023
Are Accelerated and Enhanced Wave Function Methods Accurate to Compute Static Linear and Nonlinear Optical Properties?Carmelo Naim, Pau Besalú-Sala, Robert Zaleśny, et al.The Journal of Organic Chemistry|February 11, 2025
Isoelectronic Push-Pull Fluorescent Difluoroborates: Halogen Bonding and Photophysical PropertiesAlex Iglesias-Reguant, Izabela Barańska, Damian Plażuk, et al.Physical Chemistry Chemical Physics : PCCP|July 19, 2023
Decoding the infrared spectra changes upon formation of molecular complexes: the case of halogen bonding in pyridine⋯perfluorohaloarene complexesAlex Iglesias-Reguant, Heribert Reis, Miroslav Medved', et al.Molecular and Cellular Probes|April 18, 2008
New molecular methods for identification of broad bean wilt virus 1R M Ferrer, F Escriu, M Luis-Arteaga, et al.Journal of Computational Chemistry|October 1, 2017
Relevance of the DFT method to study expanded porphyrins with different topologiesMiquel Torrent-Sucarrat, Sara Navarro, Fernando P Cossío, et al.Chemical Communications (Cambridge, England)|August 21, 2013
Aromaticity as the driving force for the stability of non-IPR endohedral metallofullerene Bingel-Hirsch adductsMarc Garcia-Borràs, Sílvia Osuna, Marcel Swart, et al.Organometallics|September 26, 2022
Well-Defined Aryl-FeII Complexes in Cross-Coupling and C-H Activation ProcessesCarla Magallón, Oriol Planas, Steven Roldán-Gómez, et al.Journal of Chemical Theory and Computation|November 24, 2015
The Frozen Cage Model: A Computationally Low-Cost Tool for Predicting the Exohedral Regioselectivity of Cycloaddition Reactions Involving Endohedral MetallofullerenesMarc Garcia-Borràs, Adrian Romero-Rivera, Sílvia Osuna, et al.Pageof 19