Showing results (71-80 of 154) with videos related to

Sort By:
Pageof 16
Journal of Chemical Theory and Computation|November 15, 2022
Nonadiabatic Dynamics of Hydrogen Tunneling with Nuclear-Electronic Orbital Multistate Density Functional TheoryQi Yu, Saswata Roy, Sharon Hammes-Schiffer
Journal of Computational Chemistry|January 13, 2023
Libkrylov: A modular open-source software library for extremely large on-the-fly matrix computationsDmitrij Rappoport, Samuel Bekoe, Luke Nambi Mohanam, et al.
The Journal of Physical Chemistry Letters|October 6, 2016
That Little Extra Kick: Nonadiabatic Effects in Acetaldehyde PhotodissociationJordan C Vincent, Mikko Muuronen, Kirk C Pearce, et al.
Chemical Communications (Cambridge, England)|June 4, 2025
Four-electron oxidation and one-electron reduction of the bis(terphenylthiolate) U(II) complex, U(SAriPr6)2 [AriPr6 = C6H3-2,6-(C6H2-2,4,6-iPr3)2]Joshua D Queen, Eric Ma, Ahmadreza Rajabi, et al.
The Journal of Chemical Physics|December 2, 2021
Accelerating molecular property calculations with semiempirical preconditioningZehao Zhou, Shane M Parker
Journal of Chemical Theory and Computation|November 21, 2015
Quasi-diabatic States from Active Space DecompositionShane M Parker, Toru Shiozaki
The Journal of Chemical Physics|December 8, 2014
Communication: Active space decomposition with multiple sites: density matrix renormalization group algorithmShane M Parker, Toru Shiozaki
Journal of Chemical Theory and Computation|July 25, 2024
Converging Time-Dependent Density Functional Theory Calculations in Five Iterations with Minimal Auxiliary PreconditioningZehao Zhou, Shane M Parker
Journal of the American Chemical Society|June 12, 2025
A Linear Metallocene of Sc(II) Supported by [C5Me4(SiMe2tBu)]1- LigandsJoseph Q Nguyen, Ahmadreza Rajabi, Anthony J Wang, et al.
Chemical Communications (Cambridge, England)|April 8, 2024
Exploring sulfur donor atom coordination chemistry with La(II), Nd(II), and Tm(II) using a terphenylthiolate ligandKito Gilbert-Bass, Cary R Stennett, Robin Grotjahn, et al.
Pageof 16