David W Small

Publication Activity (10 Years)

Years Active: 2020-2022
Publications (10 Years): 4

Top Topics

Crystal Structure

Molecular Dynamics

Top Venues

Journal of chemical theory and computation

Inorganic chemistry

Journal of the American Chemical Society

This page only lists publications with an associated author ORCID identifier.

Publications

Anukta Jain, Jade I Fostvedt, Benjamin M Kriegel, David W Small, Lauren N Grant, Robert G Bergman, John Arnold
[3 + 2] Cycloadditions and Retrocycloadditions of Niobium Imido Complexes: An Experimental and Computational Mechanistic Study. Inorganic chemistry 61 (17) (2022)
Trevor D Lohrey, Guodong Rao, David W Small, Erik T Ouellette, Robert G Bergman, R David Britt, John Arnold
Electronic Structures of Rhenium(II) β-Diketiminates Probed by EPR Spectroscopy: Direct Comparison of an Acceptor-Free Complex to Its Dinitrogen, Isocyanide, and Carbon Monoxide Adducts. Journal of the American Chemical Society 142 (32) (2020)
David W Small
Remarkable Accuracy of an O(N6) Perturbative Correction to Opposite-Spin CCSD: Are Triples Necessary for Chemical Accuracy in Coupled Cluster? Journal of chemical theory and computation 16 (7) (2020)
Xiaowei Xie, Kristin Aslaug Persson, David W Small
Incorporating Electronic Information into Machine Learning Potential Energy Surfaces via Approaching the Ground-State Electronic Energy as a Function of Atom-Based Electronic Populations. Journal of chemical theory and computation 16 (7) (2020)