Reed Nieman

Texas Tech University — United States

Materials Science · Physical Sciences

13h-index622citations46works2.92yr avg
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Research Topics

Graphene research and applications(12), Advanced Chemical Physics Studies(10), Photochemistry and Electron Transfer Studies(9), Synthesis and Properties of Aromatic Compounds(9), Fullerene Chemistry and Applications(8)

Publications46 total

Tuning Heptazine-Based g-C <sub>3</sub> N <sub>4</sub> Structures for Photocatalysis by Enhancing Chemical Stability and Electron–Hole Pair Separation: A Computational Study
ACS Omega·2026Open Access
Acetylene‐Linked Phenalenyl Oligomers as a Creative Source of Extended Polyradical Character
Journal of Computational Chemistry·2025
COLUMBUS─An Efficient and General Program Package for Ground and Excited State Computations Including Spin–Orbit Couplings and Dynamics
The Journal of Physical Chemistry A·2025· 5 citedOpen Access
Influence of Pancake Bonding and of PAH Radicals on the Stacking Properties of Carbon Nanomaterials: Metadynamics Simulations with Quantum Chemical Methods
The Journal of Physical Chemistry C·2025
Tuning Aromaticity, Stability and Radicaloid Character of Periacenes by Chemical <scp>BN</scp> Doping
Journal of Computational Chemistry·2025· 5 citedOpen Access
The Use of Glycan Ensemble Structures and Nonpolar Surface Area Distributions for Correlating with Liquid Chromatography Retention Times
Journal of Chemical Information and Modeling·2025
Low-lying excited states of linear all-<i>trans</i> polyenes: the σ–π electron correlation and the description of ionic states
Physical Chemistry Chemical Physics·2025· 3 citedOpen Access
Charge transfer within excited states of boron/nitrogen doped polycyclic aromatic hydrocarbons
Physical Chemistry Chemical Physics·2025· 2 cited
Influence of Ligand Complexity on the Spectroscopic Properties of Type 1 Copper Sites: A Theoretical Study
Journal of Computational Chemistry·2024
Globally aromatic odd-electron π-magnetic macrocycle
Chem·2024· 8 cited
Multireference calculations on bond dissociation and biradical polycyclic aromatic hydrocarbons as guidance for fractional occupation number weighted density analysis in DFT calculations
Theoretical Chemistry Accounts·2024· 10 citedOpen Access
Modeling adsorption reactions of ammonium perchlorate on rutile and anatase surfaces
Journal of Computational Chemistry·2024· 2 citedOpen Access
The effect of water on gold supported chiral graphene nanoribbons: rupture of conjugation by an alternating hydrogenation pattern
Nanoscale·2023· 1 citedOpen Access
High-Level Multireference Investigations on the Electronic States in Single-Vacancy (SV) Graphene Defects Using a Pyrene-SV Model
The Journal of Physical Chemistry A·2023· 2 cited
A comprehensive analysis of charge transfer effects on donor‐pyrene (bridge)‐acceptor systems using different substituents
Journal of Computational Chemistry·2023· 10 cited
Resonance Raman spectra and excited state properties of methyl viologen and its radical cation from time‐dependent density functional theory
Journal of Computational Chemistry·2023· 4 citedOpen Access
Quantum Dynamical Investigation of Dihydrogen–Hydride Exchange in a Transition-Metal Polyhydride Complex
The Journal of Physical Chemistry A·2023· 5 cited
Spin-dependent reactivity and spin-flipping dynamics in oxygen atom scattering from graphite
Nature Chemistry·2023· 25 citedOpen Access
Supplementary Data for "Spin-dependent reactivity and spin-flipping dynamics in O atom scattering from graphite"
Zenodo (CERN European Organization for Nuclear Research)·2023· 1 citedOpen Access
Polyradical character assessment using multireference calculations and comparison with density-functional derived fractional occupation number weighted density analysis
Physical Chemistry Chemical Physics·2023· 21 cited
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Frequent Co-authors

Hans Lischka(29), Adélia J. A. Aquino(29), Francisco B. C. Machado(7), Hua Guo(7), Bhumika Jayee(7), Dana Nachtigallová(6), William L. Hase(5), Miklós Kertész(5), Timothy K. Minton(5), Itamar Borges(4), Felix Plasser(4), Pavel Jelı́nek(4), Jhonatas R. Carvalho(4), Julio C. V. Chagas(4), Luan G. F. dos Santos(4), Ron Shepard(3), Péter G. Szalay(3), Silmar A. do Monte(3), Carol A. Parish(3), Rene F. K. Spada(3)