Phillip R Westmoreland
Overview
Explore the profile of Phillip R Westmoreland including associated specialties, affiliations and a list of published articles.
Author names and details appear as published. Due to indexing inconsistencies, multiple individuals may share a name, and a single author may have variations. MedLuna displays this data as publicly available, without modification or verification
Snapshot
Snapshot
Articles
21
Citations
115
Followers
0
Related Specialties
Related Specialties
Top 10 Co-Authors
Top 10 Co-Authors
Published In
Affiliations
Affiliations
Soon will be listed here.
Recent Articles
1.
2.
Ram H, DePompa C, Westmoreland P
J Phys Chem A
. 2024 Apr;
128(17):3387-3395.
PMID: 38626401
New ideal-gas thermochemistry (), °(), °(), and °() are predicted for 53 species involved in the thermal destruction of perfluorinated sulfonic acids (PFSAs) ranging from C to C in perfluorinated...
3.
Ram H, Sadej T, Murphy C, Mallo T, Westmoreland P
J Phys Chem A
. 2024 Feb;
128(7):1313-1326.
PMID: 38335280
New thermochemical properties, (), °(), °(), and °(), are predicted for 123 species involved in the thermal destruction of perfluorinated carboxylic acids (PFCAs) using computational quantum chemistry and ideal-gas statistical...
4.
Zulueta B, Tulyani S, Westmoreland P, Frisch M, Petersson E, Petersson G, et al.
J Chem Theory Comput
. 2022 Jul;
18(8):4774-4794.
PMID: 35849729
We report an analytical bond energy from bond orders and populations (BEBOP) model that provides intramolecular bond energy decompositions for chemical insight into the thermochemistry of molecules. The implementation reported...
5.
Clark J, Thacker P, McGill C, Miles J, Westmoreland P, Efimenko K, et al.
J Phys Chem A
. 2021 Jun;
125(23):4943-4956.
PMID: 34101445
Polyesters synthesized from 2,2,4,4-tetramethyl-1,3-cyclobutanediol (TMCD) and terephthalic acid (TPA) are improved alternatives to toxic polycarbonates based on bisphenol A. In this work, we use ωB97X-D/LANL2DZdp calculations, in the presence of...
6.
Bose A, Westmoreland P
J Phys Chem A
. 2020 Dec;
124(50):10600-10615.
PMID: 33275443
Concentrations in GC-MS using electron-ionization mass spectrometry can be determined without pure calibration standards through prediction of relative total-ionization cross sections. An atom- and group-based artificial neural network (FF-NN-AG) model...
7.
Al-Nuairat J, Dlugogorski B, Gao X, Zeinali N, Skut J, Westmoreland P, et al.
Phys Chem Chem Phys
. 2018 Dec;
21(1):171-183.
PMID: 30516179
Photo-degradation of organic pollutants plays an important role in their removal from the environment. This study provides an experimental and theoretical account of the reaction of singlet oxygen O2(1Δg) with...
8.
McGill C, Westmoreland P
J Phys Chem A
. 2018 Nov;
123(1):120-131.
PMID: 30484643
Quantum-chemical calculations show how low barriers to anomerization and shifting equilibria cause a significant presence of different monosaccharide isomers in high-temperature processes such as pyrolysis. The transition between isomeric forms...
9.
Al-Nuairat J, Altarawneh M, Gao X, Westmoreland P, Dlugogorski B
J Phys Chem A
. 2017 Apr;
121(17):3199-3206.
PMID: 28406298
Dissolved organic matter (DOM) acts as an effective photochemical sensitizer that produces the singlet delta state of molecular oxygen (OΔ), a powerful oxidizer that removes aniline from aqueous solutions. However,...
10.
Siddique K, Altarawneh M, Gore J, Westmoreland P, Dlugogorski B
J Phys Chem A
. 2017 Feb;
121(11):2221-2231.
PMID: 28225281
This contribution investigates thermokinetic parameters of bimolecular gas-phase reactions involving the amine (NH) radical and a large number of saturated and unsaturated hydrocarbons. These reactions play an important role in...