Search

6 results in Keywords: Conical Intersections

Physical Chemistry

Probing Competing Relaxation Pathways in Malonaldehyde with Transient X-Ray Absorption Spectroscopy

Nanna Holmgaard List, Adrian L. Dempwolff, Andreas Dreuw, Patrick Norman, Todd J. Martínez

Version 1 posted 19 February 2020

932

Downloads

Materials Chemistry

On the Effect of Donor Strength on the Photoluminescence Performance in Mono-substituted N-Donor Triarylmethyl Radicals

Mona Arnold, Lars Ross, Philipp Thielert, Francisca de Almeida Neno Bartley, Julia Zolg, Florian Bartsch, Ludwig Kibler, Sabine Richert, Christoph Bannwarth, Alexander Kühne

Version 3 posted 20 February 2024

765

Downloads

Theoretical and Computational Chemistry

Exploring the Influence of Approximations for Simulating Valence Excited X-ray Spectra

Thomas Penfold, Basile Curchod

Version 2 posted 01 November 2024

219

Downloads

Theoretical and Computational Chemistry

Conical intersections in solution with polarizable embedding: Integral-exact direct reaction field

Xiao Liu, Alexander Humeniuk, William Glover

Version 2 posted 27 September 2022

345

Downloads

Theoretical and Computational Chemistry

Spin-Flip TDDFT for Photochemistry

John Herbert, Aniket Mandal

Version 1 posted 16 March 2022

2,738

Downloads

3

Citations

Theoretical and Computational Chemistry

Multistate, polarizable QM/MM embedding scheme based on the direct reaction field method: Solvatochromic shifts, analytical gradients and optimization of conical intersections in solution

Alexander Humeniuk, William J. Glover

Version 3 posted 02 January 2024

454

Downloads