David F Grant

Publication Activity (10 Years)

Years Active: 2018-2023
Publications (10 Years): 5

Top Topics

Density Functional Theory

Ultra High Performance Liquid Chromatography

Mass Spectrometry

Top Venues

Analytical chemistry

Journal of chemical information and modeling

Journal of chemical theory and computation

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

Publications

Erandika Karunaratne, Dennis W Hill, Kai Dührkop, Sebastian Böcker, David F Grant
Combining Experimental with Computational Infrared and Mass Spectra for High-Throughput Nontargeted Chemical Structure Identification. Analytical chemistry (2023)
Erandika Karunaratne, Dennis W Hill, Philipp Pracht, José A Gascón, Stefan Grimme, David F Grant
High-Throughput Non-targeted Chemical Structure Identification Using Gas-Phase Infrared Spectra. Analytical chemistry 93 (30) (2021)
Philipp Pracht, David F Grant, Stefan Grimme
Comprehensive Assessment of GFN Tight-Binding and Composite Density Functional Theory Methods for Calculating Gas-Phase Infrared Spectra. Journal of chemical theory and computation 16 (11) (2020)
Milinda A Samaraweera, L Mark Hall, Dennis W Hill, David F Grant
Evaluation of an Artificial Neural Network Retention Index Model for Chemical Structure Identification in Nontargeted Metabolomics. Analytical chemistry 90 (21) (2018)
L Mark Hall, Dennis W Hill, Kelly Bugden, Shannon Cawley, Lowell H Hall, Ming-Hui Chen, David F Grant
Development of a Reverse Phase HPLC Retention Index Model for Nontargeted Metabolomics Using Synthetic Compounds. Journal of chemical information and modeling 58 (3) (2018)