Showing results (1-10 of 56) with videos related to
Sort By:
Pageof 6
The Journal of Chemical Physics|July 13, 2026
Spin-cavity interactions in relativistic Jahn-Teller systems under strong light-matter couplingEric W Fischer, Michael RoemeltThe Journal of Chemical Physics|November 4, 2025
Cavity-modified Zeeman effect via spin-polariton formationEric W Fischer, Michael RoemeltPhysical Chemistry Chemical Physics : PCCP|March 30, 2026
Nucleophilic substitution at silicon under vibrational strong coupling: refined insights from a high-level <i>ab initio</i> perspectiveNiels-Ole Frerick, Michael Roemelt, Eric W FischerThe Journal of Chemical Physics|August 3, 2015
Spin orbit coupling for molecular ab initio density matrix renormalization group calculations: Application to g-tensorsMichael RoemeltThe Journal of Physical Chemistry. A|August 27, 2020
An Ab Initio Computational Study of Electronic and Structural Factors in the Isomerization of Donor-Acceptor Stenhouse AdductsMihkel Ugandi, Michael RoemeltJournal of Chemical Theory and Computation|April 7, 2025
Analytical SA-HCISCF Nuclear Gradients from Spin-Adapted Heat-Bath Configuration InteractionMihkel Ugandi, Michael RoemeltPhysical Chemistry Chemical Physics : PCCP|July 30, 2020
An ab initio multireference study of reductive eliminations from organoferrates(iii) in the gas-phase: it is all about the spin stateAbhishek Khedkar, Michael RoemeltJournal of Chemical Theory and Computation|July 10, 2020
Extending the ASS1ST Active Space Selection Scheme to Large Molecules and Excited StatesAbhishek Khedkar, Michael RoemeltPhysical Chemistry Chemical Physics : PCCP|August 6, 2021
Modern multireference methods and their application in transition metal chemistryAbhishek Khedkar, Michael RoemeltJournal of Chemical Theory and Computation|May 7, 2019
Active Space Selection Based on Natural Orbital Occupation Numbers from n-Electron Valence Perturbation TheoryAbhishek Khedkar, Michael RoemeltPageof 6