Search

A Practical Approach to Large Scale Electronic Structure Calculations in Electrolyte Solutions via Continuum-Embedded Linear-Scaling DFT

Jacek Dziedzic, Arihant Bhandari, Lucian Anton, Chao Peng, James Womack, marjan famili, Denis Kramer, Chris-Kriton Skylaris

Version 1 posted 29 January 2020

735

Downloads

1

Citations

Physical Chemistry

Working Paper

Electronic Structure Calculations in Electrolyte Solutions: Methods for Neutralization of Extended Charged Interfaces

Arihant Bhandari, Lucian Anton, Jacek Dziedzic, Chao Peng, Denis Kramer, Chris-Kriton Skylaris

Version 1 posted 09 July 2020

257

Downloads

Theoretical and Computational Chemistry

Working Paper

The Development of the QM/MM Interface and Its Application for the on-the-fly QM/MM Nonadiabatic Dynamics in JADE Package: Theory, Implementation and Applications

Haiyi Huang, Jiawei Peng, Feng Long Gu, Zhenggang Lan, Chao Xu

Version 1 posted 18 March 2024

231

Downloads

Catalysis

Working Paper

Unlocking the potential of oxidative asymmetric catalysis with continuous flow electrochemistry

Peng-Yu Chen, Chong Huang, Liang-Hua Jie, Bin Guo, Shaobin Zhu, Hai-Chao Xu

Version 1 posted 12 October 2023

680

Downloads

Organic Chemistry

Working Paper

Photoinduced Copper-Catalyzed Cross-Coupling of Acylsilanes with Azoles

Long Zheng, Ying-Chao Li, Yichen Wu, Peng Wang

Version 1 posted 02 January 2024

1,105

Downloads

1

Citations

Organic Chemistry

Working Paper

Electrochemically Driven, Ni-Catalyzed Aryl Amination: Scope, Mechanism, and Applications

Yu Kawamata, Julien Vantourout, David P. Hickey, Peng Bai, Longrui Chen, Qinglong Hou, Wenhua Qiao, Koushik Barman, Martin A. Edwards, Alberto F. Garrido-Castro, Justine N. deGruyter, Hugh Nakamura, Kyle W. Knouse, Chuanguang Qin, Khalyd J. Clay, Denghui Bao, Chao Li, Jeremy T. Starr, Carmen N. Garcia-Irizarry, Neal Sach, Henry S. White, Matthew Neurock, Shelley D. Minteer, Phil Baran

Version 1 posted 28 February 2019

1,337

Downloads

Analytical Chemistry

Working Paper

Smart Chemiluminescence Probes and Dual-Amplification of Signal for Detection of Amyloid Beta Species in Alzheimer’s Disease Model

Jing Yang, Wei Yin, Richard Van, Keyi Yin, Peng Wang, Chao Zheng, Biyue Zhu, Kathleen Ran, Can Zhang, Yihan Shao, Chongzhao Ran

Version 1 posted 20 April 2020

663

Downloads

Materials Chemistry

Working Paper

A Bright Deep-Red AIEgen with Locked Noncoplanar Conformation for Lipid Droplet-Specific Imaging

Ying Yu,, Hao Xing, Hojeong Park, Ruoyao Zhang, Chen Peng, Herman H.-Y. Sung, ian duncan williams, Chao Ma,, Kam Sing Wong, Hui-min LI, Zheng Zhao, Ben Zhong Tang

Version 1 posted 19 October 2020

674

Downloads

Theoretical and Computational Chemistry

Working Paper

The Principal Component Analysis of the Ring Deformation in the Nonadiabatic Surface Hopping Dynamics

Yifei Zhu, Jiawei Peng, Xu Kang, Chao Xu, Zhenggang Lan

Version 1 posted 29 June 2022

170

Downloads

Theoretical and Computational Chemistry

Review

Significant Impact of Deprotonated Status on the Photoisomerization Dynamics of Bacteriophytochrome Chromophore

Haiyi Huang, Chao Xu, Kunni Lin, Jiawei Peng, Feng Long Gu, Zhenggang Lan

Version 1 posted 23 May 2022

200

Downloads

2

Citations

Refine Search

10 results in Chao Peng in Authors: Chao Peng

A Practical Approach to Large Scale Electronic Structure Calculations in Electrolyte Solutions via Continuum-Embedded Linear-Scaling DFT

Electronic Structure Calculations in Electrolyte Solutions: Methods for Neutralization of Extended Charged Interfaces

The Development of the QM/MM Interface and Its Application for the on-the-fly QM/MM Nonadiabatic Dynamics in JADE Package: Theory, Implementation and Applications

Unlocking the potential of oxidative asymmetric catalysis with continuous flow electrochemistry

Photoinduced Copper-Catalyzed Cross-Coupling of Acylsilanes with Azoles

Electrochemically Driven, Ni-Catalyzed Aryl Amination: Scope, Mechanism, and Applications

Smart Chemiluminescence Probes and Dual-Amplification of Signal for Detection of Amyloid Beta Species in Alzheimer’s Disease Model

A Bright Deep-Red AIEgen with Locked Noncoplanar Conformation for Lipid Droplet-Specific Imaging

The Principal Component Analysis of the Ring Deformation in the Nonadiabatic Surface Hopping Dynamics

Significant Impact of Deprotonated Status on the Photoisomerization Dynamics of Bacteriophytochrome Chromophore

10 results in Authors: Chao Peng