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The Journal of Chemical Physics|May 10, 2013
A comparison model between density functional and wave function theories by means of the Löwdin partitioning techniqueMarc Caballero, Ibério de P R Moreira, Josep Maria BofillJournal of Chemical Theory and Computation|January 19, 2021
Barnes Update Applied in the Gauss-Newton Method: An Improved Algorithm to Locate Bond Breaking PointsJosep Maria Bofill, Rosendo Valero, Jordi Ribas-Ariño, et al.The Journal of Chemical Physics|October 23, 2017
An algorithm to locate optimal bond breaking points on a potential energy surface for applications in mechanochemistry and catalysisJosep Maria Bofill, Jordi Ribas-Ariño, Sergio Pablo García, et al.The Journal of Organic Chemistry|September 20, 2024
Leap from Diradicals to Tetraradicals by Topological Control of π-ConjugationSergi Betkhoshvili, Jordi Poater, Ibério de P R Moreira, et al.Chemistryopen|March 5, 2024
Adjusting UV-Vis Spectrum of Alizarin by Insertion of AuxochromesZahra Noori, Ibério de P R Moreira, Josep Maria Bofill, et al.Physical Review Letters|November 14, 2022
Highly Adiabatic Time-Optimal Quantum Driving at Low Energy CostLluc Garcia, Josep Maria Bofill, Ibério de P R Moreira, et al.ACS Omega|January 26, 2026
High-Spin Porphyrin PolyradicalsSergi Betkhoshvili, Jordi Poater, Ibério de P R Moreira, et al.The Journal of Physical Chemistry Letters|May 8, 2024
Pathway to Polyradicals: A Planar and Fully π-Conjugated Organic Tetraradical(oid)Sergi Betkhoshvili, Ibério de P R Moreira, Jordi Poater, et al.Journal of Computational Chemistry|April 13, 2026
Aromaticity-Induced Spin State Switching and High-Spin States in Non-Alternant PolyradicalsSergi Betkhoshvili, Ibério de P R Moreira, Jordi Poater, et al.The Journal of Organic Chemistry|June 20, 2023
Controlling the Diradical Character of Thiele Like CompoundsJosep M Anglada, Jordi Poater, Ibério de P R Moreira, et al.Pageof 45