Insight into the origin of prebiotic molecules is key to our understanding of how living systems evolved into the complex network of biological processes on Earth.

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Year:

2023

The driving effects of common atmospheric molecules for formation of clusters: the case of sulfuric acid, formic acid, hydrochloric acid, ammonia, and dimethylamine

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Year:

2023

The driving effects of common atmospheric molecules for formation of clusters: the case of sulfuric acid, nitric acid, hydrochloric acid, ammonia, and dimethylamine

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Year:

2023

Probing the Free Energy of Small Water Clusters: Revisiting Classical Nucleation Theory

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Year:

2022

Amino Acids Compete with Ammonia in Sulfuric Acid-Based Atmospheric Aerosol Prenucleation: The Case of Glycine and Serine

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Year:

2022

Hydrogen-Bond Topology Is More Important Than Acid/Base Strength in Atmospheric Prenucleation Clusters

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Year:

2022

The driving effects of common atmospheric molecules for formation of prenucleation clusters: the case of sulfuric acid, formic acid, nitric acid, ammonia, and dimethyl amine

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Year:

2022

The Role of Non‐Covalent Interactions on Cluster Formation: Pentamer, Hexamers and Heptamer of Difluoromethane

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Year:

2021

Monomers of Glycine and Serine Have a Limited Ability to Hydrate in the Atmosphere

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Year:

2021

Ligand-to-Metal Charge-Transfer Photophysics and Photochemistry of Emissive d0 Titanocenes: A Spectroscopic and Computational Investigation

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Year:

2021

Calculating Reliable Gibbs Free Energies for Formation of Gas-Phase Clusters that Are Critical for Atmospheric Chemistry: (H2SO4)3

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Year:

2021

Insights into the charge-transfer character of electronic transitions in RCp2Ti(C2Fc)2 complexes using solvatochromism, resonance Raman spectroscopy, and TDDFT

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Year:

2021

Particle formation and surface processes on atmospheric aerosols: A review of applied quantum chemical calculations

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Year:

2020

Collaborators (11)

Imanol Usabiaga

Associate Professor

University of the Basque Country

SPAIN

Camilla Calabrese

Profesor Ayudante Doctor

Universidad de Valladolid

SPAIN

Jakub Kubečka

Aarhus University

DENMARK

Andreas Buchgraitz Jensen

Aarhus University

DENMARK

Yosef Knattrup

Aarhus University

DENMARK

Ali Afzalifar

Aalto University

FINLAND

Luca Evangelisti

ITALY

Juan Navea

Associate Professor

Skidmore College

UNITED STATES

Paul S. Wagenknecht

Furman University

UNITED STATES

Christopher Johnson

Assistant Professor

Stony Brook University

UNITED STATES

Jonas Elm

Aarhus University

DENMARK

George C. Shields

Research Interests

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Articles (15)

Stability and Structure of Potentially Atmospherically Relevant Glycine Ammonium Bisulfate Clusters

Quantum chemical modeling of organic enhanced atmospheric nucleation: A critical review

Prebiotic dimer and trimer peptide formation in gas-phase atmospheric nanoclusters of water

The driving effects of common atmospheric molecules for formation of clusters: the case of sulfuric acid, formic acid, hydrochloric acid, ammonia, and dimethylamine

The driving effects of common atmospheric molecules for formation of clusters: the case of sulfuric acid, nitric acid, hydrochloric acid, ammonia, and dimethylamine

Probing the Free Energy of Small Water Clusters: Revisiting Classical Nucleation Theory

Amino Acids Compete with Ammonia in Sulfuric Acid-Based Atmospheric Aerosol Prenucleation: The Case of Glycine and Serine

Hydrogen-Bond Topology Is More Important Than Acid/Base Strength in Atmospheric Prenucleation Clusters

The driving effects of common atmospheric molecules for formation of prenucleation clusters: the case of sulfuric acid, formic acid, nitric acid, ammonia, and dimethyl amine

The Role of Non‐Covalent Interactions on Cluster Formation: Pentamer, Hexamers and Heptamer of Difluoromethane

Monomers of Glycine and Serine Have a Limited Ability to Hydrate in the Atmosphere

Ligand-to-Metal Charge-Transfer Photophysics and Photochemistry of Emissive d0 Titanocenes: A Spectroscopic and Computational Investigation

Calculating Reliable Gibbs Free Energies for Formation of Gas-Phase Clusters that Are Critical for Atmospheric Chemistry: (H2SO4)3

Insights into the charge-transfer character of electronic transitions in RCp2Ti(C2Fc)2 complexes using solvatochromism, resonance Raman spectroscopy, and TDDFT

Particle formation and surface processes on atmospheric aerosols: A review of applied quantum chemical calculations

Collaborators (11)

Imanol Usabiaga

Camilla Calabrese

Jakub Kubečka

Andreas Buchgraitz Jensen

Yosef Knattrup

Ali Afzalifar

Luca Evangelisti

Juan Navea

Paul S. Wagenknecht

Christopher Johnson

Jonas Elm

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