Structure, Dynamics, and Spectroscopy of Molecules and Clusters

Presentations

• Infrared Spectroscopy of the Pyruvic Acid Radical Anion and its Water Clusters

  Oral-In-person

  March 19, 2026, 3:30 PM – March 19, 2026, 3:42 PM

  Presenters

  • Shannon Ganley

    • University of Colorado, Boulder

  Authors

  • Shannon Ganley

    • University of Colorado, Boulder

  • Eli Katz

    • University of Colorado, Boulder

  • J. Mathias Weber

    • University of Colorado, Boulder

  View abstract →

• Gas-Phase Infrared Spectroscopy of Anionic Fluoranthene-Water Clusters

  Oral-In-person

  March 19, 2026, 3:42 PM – March 19, 2026, 3:54 PM

  Presenters

  • Eli Katz

    • University of Colorado, Boulder

  Authors

  • Eli Katz

    • University of Colorado, Boulder

  • Shannon Ganley

    • University of Colorado, Boulder

  • J. Mathias Weber

    • University of Colorado, Boulder

  View abstract →

• Heterogeneity of Free O-H Groups at the Air/Water Interface Revealed by Polarization-Resolved Vibrational Sum-Frequency Generation Spectroscopy

  Oral-In-person

  March 19, 2026, 3:54 PM – March 19, 2026, 4:06 PM

  Publication: https://doi.org/10.26434/chemrxiv-2025-x7mm6

  Presenters

  • Richa Rashmi

    • University of California San Diego

  Authors

  • Richa Rashmi

    • University of California San Diego

  • Kuo-Yang Chiang

  • Yuki Nagata

  • Mischa Bonn

    • Max Planck Institute for Polymer Research

  • Francesco Paesani

    • University of California, San Diego

  View abstract →

• Cryogenic Ion Vibrational Spectroscopy of Cucurbit[5]Uril Complexes With One and Two Alkali Metal Endcaps

  Oral-In-person

  March 19, 2026, 4:06 PM – March 19, 2026, 4:18 PM

  Presenters

  • Maddie Klumb

    • University of Colorado, Boulder

  Authors

  • Maddie Klumb

    • University of Colorado, Boulder

  • Lane Terry

  • J. Mathias Weber

    • University of Colorado, Boulder

  View abstract →

• Weakly bound ion-neutral complexes for generating ultracold molecules

  Oral-In-person

  March 19, 2026, 4:18 PM – March 19, 2026, 4:30 PM

  Presenters

  • Sarathchandran Jayachandran

    • University of Maryland College Park

  Authors

  • Sarathchandran Jayachandran

    • University of Maryland College Park

  • Max Werkheiser

    • University of Maryland College Park

  • Yu Liu

    • University of Maryland College Park

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• Bottom-up formation of cyclic aromatic ions relevant to interstellar medium chemistry

  Oral-In-person

  March 19, 2026, 4:30 PM – March 19, 2026, 4:42 PM

  Presenters

  • Heather Lewandowski

    • University of Colorado Boulder

  Authors

  • Heather Lewandowski

    • University of Colorado Boulder

  • Stephen Kocheril

  • Chase Zagorec-Marks

    • University of Colorado, Boulder

  View abstract →

• Self-Interaction Correction Studies of the Caged Electron Acceptor: Perfluorocubane (C₈F₈)

  Oral-In-person

  March 19, 2026, 4:42 PM – March 19, 2026, 4:54 PM

  Presenters

  • Prakash Mishra

    • Syracuse University

  Authors

  • Prakash Mishra

    • Syracuse University

  • Rodrick Kuate Defo

    • Syracuse University

  • Steven Richardson

    • Howard University

  View abstract →

• Atom-Specific Vibrational Analysis Reveals Labile Bonds in Linear and Branched PFOA and its Hydrogenated Analogues

  Oral-In-person

  March 19, 2026, 4:54 PM – March 19, 2026, 5:06 PM

  Publication: Pedroza-Montero, J.N. et al. Atom-Specific Vibrational Analysis Reveals Labile Bonds in Linear and Branched PFOA and its Hydrogenated Analogues. (In preparation)

  Presenters

  • Jesús Pedroza-Montero

    • University of Texas at El Paso

  Authors

  • Jesús Pedroza-Montero

    • University of Texas at El Paso

  • Kushantha Withanage

    • The University of Texas at El Paso

  • Anri Karanovich

    • Central Michigan University

  • Pardeep Kaur

    • University of Texas at El Paso

  • Yoh Yamamoto

  • Sonam Lhamo

    • University of Texas at El Paso

  • Tunna Baruah

    • university of texas at el paso

  • Mark Pederson

    • University of Texas at El Paso

  • Koblar Jackson

    • Central Michigan University

  View abstract →

• Influence of Modifications of the Structure and Stability of Guanosine Nucleoside Analogues: Studies using Complementary Spectroscopic, Mass Spectrometric, and Electronic Structure Theory Approaches

  Oral-In-person

  March 19, 2026, 5:06 PM – March 19, 2026, 5:18 PM

  Publication: Multiple manuscripts will be derived from the presented work; specifics not yet planned.

  Presenters

  • Mary T. Rodgers

    • Wayne State University

  Authors

  • Mary T. Rodgers

    • Wayne State University

  • Bijoy Krishna Roy

  • Nicholas Frieler

    • University of Michigan

  • Walter Pollard

  • Sadia Fouzia

  • Giel Berden

  View abstract →

• Inverse Infrared Spectral Deconvolution for Quantitative Analysis of Polymer Mixtures in Scattering Media

  Oral-In-person

  March 19, 2026, 5:18 PM – March 19, 2026, 5:30 PM

  Publication: 1) Inverse Infrared Spectral Deconvolution for Quantitative Analysis of Polymer Mixtures in Scattering Media (https://doi.org/10.1021/acs.analchem.5c02453)
  2) Single-Spectrum Inverse Analysis of Nonlinear Dielectric Mixtures via Infrared Extinction (Under review)

  Presenters

  • Proity Akbar

    • Wesleyan University

  Authors

  • Proity Akbar

    • Wesleyan University

  • Reinhold Blumel

    • Wesleyan University

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• Microsolvation of Protonated Glycine: Infrared Spectra from Data-Driven Quantum Many-Body Simulations

  Oral-In-person

  March 19, 2026, 5:30 PM – March 19, 2026, 5:42 PM

  Presenters

  • Zoe Solomon

    • University of California, San Diego

  Authors

  • Zoe Solomon

    • University of California, San Diego

  • Richa Rashmi

    • University of California San Diego

  • Ruihan Zhou

  • Francesco Paesani

    • University of California, San Diego

  View abstract →

• Simultaneous Heteronuclear ¹H and ¹³C RASER's Driven by Parahydrogen-Induced Polarization

  Oral-In-person

  March 19, 2026, 5:42 PM – March 19, 2026, 5:54 PM

  Publication: In preparation: Simultaneous Heteronuclear ¹H and ¹³C RASER's Driven by Parahydrogen-Induced Polarization

  Presenters

  • Nicholas Volya

    • North Carolina State University

  Authors

  • Nicholas Volya

    • North Carolina State University

  • Joseph Gyesi

  • Chris Nelson

  • Brojo Kishor Shachib Dhali

  • Seth Dilday

  • Althaf Salavudeen

  • Anna Samoilenko

  • Sören Lehmkuhl

  • Eduard Chekmenev

  • Thomas Theis

  View abstract →

• Application of Optimal Control Theory in Spectral–Spatial RF Pulse Design

  Oral-In-person

  March 19, 2026, 5:54 PM – March 19, 2026, 6:06 PM

  Presenters

  • Mehrdad Alinaghian Jouzdani

    • Qruise GmbH

  Authors

  • Mehrdad Alinaghian Jouzdani

    • Qruise GmbH

  • Swathi Hegde

  • Alastair Marshall

    • Qruise GmbH

  • Yousof Mardoukhi

    • Qruise

  • Shai Machnes

  View abstract →

• Solid-State Stoichiometry Pumping at the Flame Base on a Sandia Piloted Jet Burner

  Oral-In-person · Withdrawn

  March 19, 2026, 6:06 PM – March 19, 2026, 6:18 PM

  Publication: 1- Mousavi, M. Application of Solid-State Stoichiometry Pumping (SSSP) in NH₃–CH₄–H₂ Blends under MILD Combustion Conditions.
  2- Mousavi, M. Supervised Learning–Adaptive Global Pathway Selection for NH₃–CH₄ Blends under MILD Conditions: Control of Reacting Flow Structure Using SSSP.

  Presenters

  • Mahmood Mousavi

    • Embry-Riddle Aeronautical University

  Authors

  • Mahmood Mousavi

    • Embry-Riddle Aeronautical University

  View abstract →