Showing results (161-170 of 183) with videos related to
Sort By:
Pageof 19
Dalton Transactions (Cambridge, England : 2003)|December 11, 2014
A theoretical study of the aromaticity in neutral and anionic borole compoundsJ Oscar C Jimenez-Halla, Eduard Matito, Miquel Solà, et al.Physical Chemistry Chemical Physics : PCCP|January 22, 2021
Spectroscopic properties of open shell diatomic molecules using Piris natural orbital functionalsRaúl Quintero-Monsebaiz, Luis Ignacio Perea-Ramírez, Mario Piris, et al.Journal of Chemical Theory and Computation|December 29, 2022
Electron Correlation in the Iron(II) Porphyrin by Natural Orbital Functional ApproximationsJuan Felipe Huan Lew-Yee, Jorge M Del Campo, Mario PirisJournal of Chemical Theory and Computation|January 26, 2022
Choosing Bad versus Worse: Predictions of Two-Photon-Absorption Strengths Based on Popular Density Functional ApproximationsMarta Chołuj, Md Mehboob Alam, Maarten T P Beerepoot, et al.Physical Chemistry Chemical Physics : PCCP|May 16, 2023
Electric-field induced second harmonic generation responses of push-pull polyenic dyes: experimental and theoretical characterizationsCarmelo Naim, Raphaël Vangheluwe, Isabelle Ledoux-Rak, et al.Chemistry (Weinheim an Der Bergstrasse, Germany)|April 5, 2014
Exploring the potential energy surface of E₂P₄ clusters (E=Group 13 element): the quest for inverse carbon-free sandwichesAbril C Castro, Edison Osorio, José Luis Cabellos, et al.Journal of Physics. Condensed Matter : an Institute of Physics Journal|January 24, 2019
Natural orbital functional for spin-polarized periodic systemsRaul Quintero-Monsebaiz, Ion Mitxelena, Mauricio Rodríguez-Mayorga, et al.Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|June 1, 2011
Natural orbital functional theory and reactivity studies of diradical rearrangements: ethylene torsion as a case studyXabier Lopez, Mario Piris, Jon M Matxain, et al.Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|April 8, 2011
Diradicals and diradicaloids in natural orbital functional theoryXabier Lopez, Fernando Ruipérez, Mario Piris, et al.Chemistry (Weinheim an Der Bergstrasse, Germany)|October 4, 2022
Quest for the Most Aromatic Pathway in Charged Expanded PorphyrinsIrene Casademont-Reig, Tatiana Woller, Victor García, et al.Pageof 19