Showing results (1-10 of 22) with videos related to

Sort By:
Pageof 3
The Journal of Physical Chemistry. A|May 10, 2024
A Theoretical Benchmark of the Geometric and Optical Properties for 3d Transition Metal Nanoclusters via Density Functional TheoryShana Havenridge, Cong Liu
The Journal of Physical Chemistry. A|November 15, 2023
Understanding the Ligand-Dependent Photoluminescent Mechanism in Small Alkynyl-Protected Gold NanoclustersShana Havenridge, Christine M Aikens
The Journal of Chemical Physics|August 22, 2021
Deciphering the dual emission in the photoluminescence of Au14Cd(SR)12: A theoretical study using TDDFT and TDDFT + TBShana Havenridge, Christine M Aikens
Nanomaterials (Basel, Switzerland)|May 26, 2026
Exploration of the Electronic and Catalytic Properties of [Co5MS8(PEt3)5]1+ Nanoclusters: A Computational StudyShana Havenridge, Audrey Grace Miller, Cong Liu
The Journal of Chemical Physics|July 9, 2024
Implementation of energy and gradient for the TDDFT-approximate auxiliary function (aas) methodYuchen Wang, Shana Havenridge, Christine M Aikens
The Journal of Chemical Physics|June 8, 2023
Analytical excited state gradients for time-dependent density functional theory plus tight binding (TDDFT + TB)Shana Havenridge, Robert Rüger, Christine M Aikens
Physical Chemistry Chemical Physics : PCCP|June 3, 2025
Effect of heteroatom incorporation on electronic communication in metal chalcogenide nanoclustersShana Havenridge, Xilai Li, Julia Laskin, et al.
Faraday Discussions|October 12, 2022
Characterization of Pt-doping effects on nanoparticle emission: a theoretical look at Au24Pt(SH)18 and Au24Pt(SC3H7)18Shana Havenridge, K L Dimuthu M Weerawardene, Christine M Aikens
The Journal of Chemical Physics|June 3, 2026
Implementation of analytical excited state gradients for open-shell systems in time-dependent density functional theory plus tight binding (TDDFT+TB) methodD Sulalith N D Samarasinghe, Shana Havenridge, Christine M Aikens
The Journal of Physical Chemistry. A|January 22, 2025
Structural Changes in Metal Chalcogenide Nanoclusters Associated with Single Heteroatom IncorporationXilai Li, Shana Havenridge, Habib Gholipour-Ranjbar, et al.
Pageof 3