Search

Categories

Analytical Chemistry

(1)

Catalysis

(1)

Physical Chemistry

(2)

Theoretical and Computational Chemistry

(3)

Content Types

Working Paper

(5)

Published Date

Over 3 years

(4)

Last 3 years

(1)

Keywords

Authors

David I. Wang

5 results in Authors: David I. Wang

Analytical Chemistry

Bacterial detection and differentiation via direct volatile organic compound sensing with surface enhanced Raman spectroscopy

Caitlin S. DeJong, David I. Wang, Aleksandr Polyakov, Anita Rogacs, Steven J. Simske, Viktor Shkolnikov

Version 1 posted 11 September 2017

825

Downloads

Physical Chemistry

Spin-Forbidden Channels in Reactions of Unsaturated Hydrocarbons with O(3P)

Pavel Pokhilko, Robin Shannon, David Glowacki, Hai Wang, Anna I. Krylov

Version 1 posted 22 October 2018

452

Downloads

Theoretical and Computational Chemistry

Force Field Partial Charges with Restrained Electrostatic Potential 2 (RESP2)

Michael Schauperl, Paul Nerenberg, Hyesu Jang, Lee-Ping Wang, Christopher I. Bayly, David Mobley, Michael Gilson

Version 1 posted 31 October 2019

1,379

Downloads

3

Citations

Theoretical and Computational Chemistry

Development and Benchmarking of Open Force Field v1.0.0, the Parsley Small Molecule Force Field

Yudong Qiu, Daniel Smith, Simon Boothroyd, Hyesu Jang, Jeffrey Wagner, Caitlin C. Bannan, Trevor Gokey, Victoria T. Lim, Chaya Stern, Andrea Rizzi, Xavier Lucas, Bryon Tjanaka, Michael R. Shirts, Michael Gilson, John Chodera, Christopher I. Bayly, David Mobley, Lee-Ping Wang

Version 4 posted 09 August 2021

1,829

Downloads

1

Citations

Photocatalytic Proton Reduction by a Computationally Identified, Molecular Hydrogen-Bonded Framework

Catherine Aitchison, Christopher M. Kane, David P. McMahon, Peter Spackman, Angeles Pulido, Xiaoyan Wang, Liam Wilbraham, Linjiang Chen, Rob Clowes, Martijn Zwijnenburg, Seb Sprick, Marc Little, Graeme Day, Andrew I. Cooper

Version 1 posted 23 December 2019

479

Downloads