Scott Simpson

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Associate Professor

St. Bonaventure University

United States

Research Interests

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Recent Grants

Grant: Open

CAREER: Investigating the Molecular Corking Effect for Potential Hydrogen Storage

Open Date: 2022-01-01

Close Date: 2027-01-01

Grant: Close

Collaborative Research: Fundamental Studies on the Environmental Fate of Short-Chain and Emerging Fluorinated Alkyl Substances Using Mass-Spectrometry and Molecular Modelling

Open Date: 2019-09-01

Close Date: 2022-08-31

Articles (7)

Year:

2021

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2021

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2021

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2021

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2020

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2020

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2020

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Scott Simpson

Research Interests

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Recent Grants

Articles (7)

In Silico Supported Nontarget Analysis of Contaminants of Emerging Concern: Increasing Confidence in Unknown Identification in Wastewater and Surface Waters

Resolving unknown isomers of emerging per- and polyfluoroalkyl substances (PFASs) in environmental samples using COSMO-RS-derived retention factor and mass fragmentation patterns

Resolving unknown isomers of emerging per- and polyfluoroalkyl substances (PFASs) in environmental samples using COSMO-RS-derived retention factor and mass fragmentation patterns

The search for molecular corks beyond carbon monoxide: A quantum mechanical study of N-Heterocyclic carbene adsorption on Pd/Cu(111) and Pt/Cu(111) single atom alloys

Accurate Prediction of Gas Chromatographic Retention Times via Density Functional Theory Calculations: A Case Study Using Brominated Flame Retardants

An electrochemically controlled release of NHCs using iron bis(dithiolene) N-heterocyclic carbene complexes

Quantum chemical exercise linking computational chemistry to general chemistry topics

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