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Journal of Computational Chemistry|June 22, 2022
Calculation of absolute Raman scattering cross-sections using vibrational self-consistent field/vibrational configuration interaction wave functionsJhonatas R Carvalho, Luciano N VidalThe Journal of Physical Chemistry. A|May 11, 2023
Extremely Long C-C Bonds Predicted beyond 2.0 ÅEero J J Korpela, Jhonatas R Carvalho, Hans Lischka, et al.Journal of Computational Chemistry|September 24, 2025
Acetylene-Linked Phenalenyl Oligomers as a Creative Source of Extended Polyradical CharacterJhonatas R Carvalho, Reed Nieman, Adelia J A Aquino, et al.Physical Chemistry Chemical Physics : PCCP|October 4, 2023
Polyradical character assessment using multireference calculations and comparison with density-functional derived fractional occupation number weighted density analysisReed Nieman, Jhonatas R Carvalho, Bhumika Jayee, et al.The Journal of Physical Chemistry. A|July 8, 2025
COLUMBUS─An Efficient and General Program Package for Ground and Excited State Computations Including Spin-Orbit Couplings and DynamicsFelix Plasser, Hans Lischka, Ron Shepard, et al.Pageof 1