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The Journal of Physical Chemistry. B|December 6, 2025
Following Flavin's Vibrational Modes to Probe Anharmonicities and Low-Lying Conical IntersectionsVy Vu, Samer GozemJournal of Chemical Theory and Computation|July 6, 2024
First and Second Reductions in an Aprotic Solvent: Comparing Computational and Experimental One-Electron Reduction Potentials for 345 QuinonesSarah Elhajj, Samer GozemJournal of Chemical Theory and Computation|March 17, 2025
Implementation of an Ellipsoidal-Cavity Field Correction for Computed Molecular Oscillator Strengths in Solution: A(nother) Benchmark StudyJorge C Garcia-Alvarez, Samer GozemJournal of Chemical Theory and Computation|August 14, 2024
Absorption Intensities of Organic Molecules from Electronic Structure Calculations versus Experiments: the Effect of Solvation, Method, Basis Set, and Transition Moment GaugeJorge C Garcia-Alvarez, Samer GozemJournal of the American Chemical Society|February 4, 2026
Protein Electrostatics Tune the Singlet-Triplet Energy Gap in Natural and Engineered Phototropin Light-Oxygen-Voltage (LOV) DomainsStephen O Ajagbe, Paulami Ghosh, Samer GozemJournal of Chemical Theory and Computation|November 22, 2015
Conical Intersection and Potential Energy Surface Features of a Model Retinal Chromophore: Comparison of EOM-CC and Multireference MethodsSamer Gozem, Anna I Krylov, Massimo OlivucciThe Journal of Physical Chemistry. B|July 29, 2024
Electronic Structure Methods for Simulating Flavin's Spectroscopy and Photophysics: Comparison of Multi-reference, TD-DFT, and Single-Reference Wave Function MethodsMohammad Pabel Kabir, Paulami Ghosh, Samer GozemChemistry (Weinheim an Der Bergstrasse, Germany)|March 4, 2025
The Photophysical Path to the Triplet State in Light-Oxygen-Voltage (LOV) DomainsPaulami Ghosh, Stephen O Ajagbe, Samer GozemPhysical Chemistry Chemical Physics : PCCP|July 18, 2019
Electronic spectra of flavin in different redox and protonation states: a computational perspective on the effect of the electrostatic environmentMohammad Pabel Kabir, Yoelvis Orozco-Gonzalez, Samer GozemMolecules (Basel, Switzerland)|January 26, 2024
How Aqueous Solvation Impacts the Frequencies and Intensities of Infrared Absorption Bands in Flavin: The Quest for a Suitable Solvent ModelD P Ngan Le, Gary Hastings, Samer GozemPageof 7