Search

Theoretical and Computational Chemistry

Working Paper

Mesoscale Electrostatics Driving Particle Dynamics in Non-Homogeneous Dielectrics

Sigbjørn Løland Bore, Hima Bindu Kolli, Toshihiro Kawakatsu, Giuseppe Milano, Michele Cascella

Version 1 posted 30 November 2018

562

Downloads

Theoretical and Computational Chemistry

Working Paper

Electrostatic estimation of intercalant jump-diffusion barriers using finite-size ion models

Nils Zimmermann, Daniel C. Hannah, Ziqin Rong, Miao Liu, Gerbrand Ceder, Maciej Haranczyk, Kristin A. Persson

Version 1 posted 05 December 2017

766

Downloads

Physical Chemistry

Working Paper

A Unified Model for Photophysical and Electro-Optical Properties of Green Fluorescent Proteins

Chi-Yun Lin, Matthew Romei, Luke Oltrogge, Irimpan Mathews, Steven Boxer

Version 1 posted 05 July 2019

862

Downloads

Physical Chemistry

Working Paper

Unusual Spectroscopic and Electric Field Sensitivity of a Chromophore with Short Hydrogen Bond: GFP and PYP as Model Systems

Chi-Yun Lin, Steven Boxer

Version 1 posted 24 August 2020

564

Downloads

Materials Chemistry

Working Paper

Dipolar ligands tune plasmonic properties of tin-doped indium oxide nanocrystals

Victor Segui Barragan, Benjamin J. Roman, Sofia A. Shubert-Zuleta, Marina W. Berry, Hugo Celio, Delia J. Milliron

Version 1 posted 05 June 2023

191

Downloads

Nanoscience

Working Paper

Catalan solids from superionic nanoparticles

Tong Bian, Ivan Lobato, Ji Wang, Tara A. Nitka, Tzuf Shay Peled, Byeongdu Lee, Sandra Van Aert, Sara Bals, Lela Vuković, Thomas Altantzis, Petr Král, Rafal Klajn

Version 1 posted 08 April 2022

941

Downloads

1

Citations

Theoretical and Computational Chemistry

Working Paper

Origins of Offset-Stacking in Porous Frameworks

Montgomery Gray, John Herbert

Version 1 posted 01 December 2022

305

Downloads

Theoretical and Computational Chemistry

Working Paper

Efficient and Scalable Electrostatics via Spherical Grids and Treecode Summation

Andrew Simmonett, Bernard Brooks, Thomas Darden

Version 1 posted 02 September 2022

300

Downloads

1

Citations

Analytical Chemistry

Working Paper

Finite Element Modelling of the Combined Faradaic and Electrostatic Contributions to the Voltammetric Response of Monolayer Redox Films

Katherine Levey, Martin Edwards, Henry White, Julie Macpherson

Version 1 posted 16 May 2022

259

Downloads

Theoretical and Computational Chemistry

Working Paper

MetalWalls: Simulating electrochemical interfaces between polarizable electrolytes and metallic electrodes

Alessandro Coretti, Camille Bacon, Roxanne Berthin, Alessandra Serva, Laura Scalfi, Iurii Chubak, Kateryna Goloviznina, Matthieu Haefele, Abel Marin-Laflèche, Benjamin Rotenberg, Sara Bonella, Mathieu Salanne

Version 1 posted 07 June 2022

512

Downloads

Refine Search

32 results in electrostatics in Keywords: electrostatics

Mesoscale Electrostatics Driving Particle Dynamics in Non-Homogeneous Dielectrics

Electrostatic estimation of intercalant jump-diffusion barriers using finite-size ion models

A Unified Model for Photophysical and Electro-Optical Properties of Green Fluorescent Proteins

Unusual Spectroscopic and Electric Field Sensitivity of a Chromophore with Short Hydrogen Bond: GFP and PYP as Model Systems

Dipolar ligands tune plasmonic properties of tin-doped indium oxide nanocrystals

Catalan solids from superionic nanoparticles

Origins of Offset-Stacking in Porous Frameworks

Efficient and Scalable Electrostatics via Spherical Grids and Treecode Summation

Finite Element Modelling of the Combined Faradaic and Electrostatic Contributions to the Voltammetric Response of Monolayer Redox Films

MetalWalls: Simulating electrochemical interfaces between polarizable electrolytes and metallic electrodes

32 results in Keywords: electrostatics