Search

Physical Chemistry

Working Paper

Beyond the Vibrational Stark Effect: Unraveling the Large Redshifts of Alkyne C-H Bond in Solvation Environments

Chu Zheng, Yuezhi Mao, Thomas E. Markland, Steven G. Boxer

Version 1 posted 18 December 2024

42

Downloads

Physical Chemistry

Working Paper

Ultrafast Dynamics of a Red-Light-Activated Organic Photocatalyst in the Oxidative Hydroxylation of Phenylboronic Acid

Anshu Kumar, Benjamin Thompson, Md Mubarak Hossain, Thomas Gianetti, Vanessa Huxter

Version 1 posted 17 May 2024

199

Downloads

Nanoscience

Working Paper

Extremely long-lived charge donor states formed by visible irradiation of quantum dots

Micaela Homer, Helen Larson, Grant Dixon, Emily Miura-Stempel, Neal Armstrong, Brandi Cossairt

Version 1 posted 23 April 2024

247

Downloads

1

Citations

Materials Science

Working Paper

X-ray induced ultrafast charge transfer in thiophene-based conjugated polymers controlled by core-hole clock spectroscopy

Nicolas Velasquez, Fernanda Brandalise Nunes, Oksana Travnikova, Iyas Ismail, Renaud Guillemin, Jessica B. Martins, Denis Céolin, Loïc Journel, Laure Fillaud, Dimitris Koulentianos, Chinnathambi Kamal, Ralph Püttner, Maria Novella Piancastelli, Marc Simon, Michael Odelius, Marcella Iannuzzi, Tatiana Marchenko

Version 1 posted 21 July 2023

187

Downloads

Materials Chemistry

Working Paper

Implications of Efficient and Selective NO and NO2 Detection via Surface Functionalized h-B2S2 Monolayer

Upasana Nath, Manabendra Sarma

Version 1 posted 10 January 2024

601

Downloads

Nanoscience

Working Paper

Ultrafast Charge Transfer Cascade in a Mixed-Dimensionality Nanoscale Trilayer

Alexis R. Myers, Zhaodong Li, Melissa Gish, Justin Earley, Justin Johnson, M. Alejandra Hermosilla-Palacios, Jeffrey Blackburn

Version 1 posted 06 December 2023

136

Downloads

Physical Chemistry

Working Paper

The Prominent Role of Charge Transfer in the Spectral Tuning of Photosynthetic Light-Harvesting I Complex

Kazuhiro J. Fujimoto, Rio Tsuji, Zheng-Yu Wang-Otomo, Takeshi Yanai

Version 1 posted 18 August 2023

178

Downloads

Theoretical and Computational Chemistry

Working Paper

Balance between physical interpretability and energetic predictability in widely used dispersion-corrected density functionals

Saswata Dasgupta, Etienne Palos, Yuanhui Pan, Francesco Paesani

Version 1 posted 17 August 2023

305

Downloads

Theoretical and Computational Chemistry

Working Paper

The Protein Environment Restricts the Intramolecular Charge Transfer Character of the Luciferine/Luciferase Complex

Henar Mateo-delaFuente, Davide Avagliano, Marco Garavelli, Juan Jose Nogueira

Version 1 posted 28 March 2023

160

Downloads

Physical Chemistry

Working Paper

Incorporating Polarization and Charge Transfer into a Point Charge Model for Water using Machine Learning

Bowen Han, Christine M. Isborn, Liang Shi

Version 1 posted 29 December 2022

223

Downloads

Refine Search

93 results in charge delocalization, DNA, pi stack, charge transfer, delocalized domain in Keywords: charge delocalization, DNA, pi stack, charge transfer, delocalized domain

Beyond the Vibrational Stark Effect: Unraveling the Large Redshifts of Alkyne C-H Bond in Solvation Environments

Ultrafast Dynamics of a Red-Light-Activated Organic Photocatalyst in the Oxidative Hydroxylation of Phenylboronic Acid

Extremely long-lived charge donor states formed by visible irradiation of quantum dots

X-ray induced ultrafast charge transfer in thiophene-based conjugated polymers controlled by core-hole clock spectroscopy

Implications of Efficient and Selective NO and NO2 Detection via Surface Functionalized h-B2S2 Monolayer

Ultrafast Charge Transfer Cascade in a Mixed-Dimensionality Nanoscale Trilayer

The Prominent Role of Charge Transfer in the Spectral Tuning of Photosynthetic Light-Harvesting I Complex

Balance between physical interpretability and energetic predictability in widely used dispersion-corrected density functionals

The Protein Environment Restricts the Intramolecular Charge Transfer Character of the Luciferine/Luciferase Complex

Incorporating Polarization and Charge Transfer into a Point Charge Model for Water using Machine Learning

93 results in Keywords: charge delocalization, DNA, pi stack, charge transfer, delocalized domain