Publications by authors named "Reed Nieman"

Claim this Profile
A
Acetylene-Linked Phenalenyl Oligomers as a Creative Source of Extended Polyradical Character.
Jhonatas R Carvalho, Reed Nieman, Adelia J A Aquino, Dana Nachtigallová, Hans Lischka

J Comput Chem· September 2025

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
C
COLUMBUS─An Efficient and General Program Package for Ground and Excited State Computations Including Spin-Orbit Couplings and Dynamics.
Felix Plasser, Hans Lischka, Ron Shepard, Péter G Szalay, Russell M Pitzer, Reed Nieman

J Phys Chem A· July 2025

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
C
Charge transfer within excited states of boron/nitrogen doped polycyclic aromatic hydrocarbons.
Luan G F Dos Santos, Julio C V Chagas, Reed Nieman, Adelia J A Aquino, Francisco B C Machado

Phys Chem Chem Phys· June 2025

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
L
Low-lying excited states of linear all- polyenes: the σ-π electron correlation and the description of ionic states.
Julio C V Chagas, Luan G F Dos Santos, Reed Nieman, Adelia J A Aquino, Silmar A do Monte

Phys Chem Chem Phys· April 2025

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
I
Influence of Ligand Complexity on the Spectroscopic Properties of Type 1 Copper Sites: A Theoretical Study.
Umut Ozuguzel, Serzat Safaltin, S Pamir Alpay, Kenda Alkadry, Reed Nieman

J Comput Chem· January 2025

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
T
The Use of Glycan Ensemble Structures and Nonpolar Surface Area Distributions for Correlating with Liquid Chromatography Retention Times.
Lucas Modesto da Costa, Reed Nieman, Adelia J A Aquino, Yehia Mechref, Hans Lischka

J Chem Inf Model· January 2025

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
T
Tuning Aromaticity, Stability and Radicaloid Character of Periacenes by Chemical BN Doping.
Luan G F Dos Santos, Julio C V Chagas, Luiz F A Ferrão, Adelia J A Aquino, Reed Nieman

J Comput Chem· January 2025

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
M
Modeling adsorption reactions of ammonium perchlorate on rutile and anatase surfaces.
Jerimiah A Zamora, Armando de Rezende, Reed Nieman, Neil Vaz, Andrew R Demko

J Comput Chem· December 2024

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
T
The effect of water on gold supported chiral graphene nanoribbons: rupture of conjugation by an alternating hydrogenation pattern.
Alejandro Berdonces-Layunta, Adam Matěj, Alejandro Jiménez-Martín, James Lawrence, Mohammed S G Mohammed, Reed Nieman

Nanoscale· January 2024

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
R
Resonance Raman spectra and excited state properties of methyl viologen and its radical cation from time-dependent density functional theory.
Umut Ozuguzel, Adelia J A Aquino, Reed Nieman, Shelley D Minteer, Carol Korzeniewski

J Comput Chem· December 2023

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
A
A comprehensive analysis of charge transfer effects on donor-pyrene (bridge)-acceptor systems using different substituents.
Itamar Borges, Roberta M P O Guimarães, Gabriel Monteiro-de-Castro, Nathália M P Rosa, Reed Nieman

J Comput Chem· December 2023

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
H
High-Level Multireference Investigations on the Electronic States in Single-Vacancy (SV) Graphene Defects Using a Pyrene-SV Model.
Reed Nieman, Vytor P Oliveira, Bhumika Jayee, Adelia J A Aquino, Francisco B C Machado

J Phys Chem A· October 2023

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
P
Polyradical character assessment using multireference calculations and comparison with density-functional derived fractional occupation number weighted density analysis.
Reed Nieman, Jhonatas R Carvalho, Bhumika Jayee, Andreas Hansen, Adelia J A Aquino

Phys Chem Chem Phys· October 2023

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
Q
Quantum Dynamical Investigation of Dihydrogen-Hydride Exchange in a Transition-Metal Polyhydride Complex.
Mahdi Aarabi, János Sarka, Ankit Pandey, Reed Nieman, Adelia J A Aquino

J Phys Chem A· August 2023

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
S
Spin-dependent reactivity and spin-flipping dynamics in oxygen atom scattering from graphite.
Zibo Zhao, Yingqi Wang, Ximei Yang, Jiamei Quan, Bastian C Krüger, Reed Nieman

Nat Chem· July 2023

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
I
Informing air-carbon ablation modeling with theoretical calculations of atomic oxygen and nitrogen interacting with carbon surfaces.
Reed Nieman, Michael Sands, Yingqi Wang, Timothy K Minton, Erin E Mussoni

Phys Chem Chem Phys· June 2023

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
A
A General New Method for Calculating the Molecular Nonpolar Surface for Analysis of LC-MS Data.
Rabin Dhakal, Reed Nieman, Daniel C A Valente, Thiago M Cardozo, Bhumika Jayee

Int J Mass Spectrom· March 2021

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
R
Reaction mechanism for fluorination reactions with hydroxylated alumina sites: Pathways promoting aluminum combustion.
Daniel Tunega, Michelle L Pantoya, Reed Nieman, Hans Lischka, Adelia J A Aquino

J Chem Phys· March 2021

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
E
Exploration of Graphene Defect Reactivity toward a Hydrogen Radical Utilizing a Preactivated Circumcoronene Model.
Reed Nieman, Adelia J A Aquino, Hans Lischka

J Phys Chem A· February 2021

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
I
Insights into adsorption, diffusion, and reactions of atomic nitrogen on a highly oriented pyrolytic graphite surface.
Yingqi Wang, Reed Nieman, Timothy K Minton, Hua Guo

J Chem Phys· February 2021

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
E
Exploring reactivity and product formation in N(S) collisions with pristine and defected graphene with direct dynamics simulations.
Reed Nieman, Riccardo Spezia, Bhumika Jayee, Timothy K Minton, William L Hase

J Chem Phys· November 2020

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
D
Diradical Organic One-Dimensional Polymers Synthesized on a Metallic Surface.
Ana Sánchez-Grande, José I Urgel, Aleš Cahlík, José Santos, Shayan Edalatmanesh, Reed Nieman

Angew Chem Int Ed Engl· September 2020

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
T
The generality of the GUGA MRCI approach in COLUMBUS for treating complex quantum chemistry.
Hans Lischka, Ron Shepard, Thomas Müller, Péter G Szalay, Russell M Pitzer, Reed Nieman

J Chem Phys· April 2020

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
I
Interplay of Biradicaloid Character and Singlet/Triplet Energy Splitting for -/-Diindenoacenes and Related Benzothiophene-Capped Oligomers as Revealed by Extended Multireference Calculations.
Reed Nieman, Nadeesha J Silva, Adelia J A Aquino, Michael M Haley, Hans Lischka

J Org Chem· March 2020

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
B
Benchmark ab initio calculations on intermolecular structures and the exciton character of poly(p-phenylenevinylene) dimers.
Reed Nieman, Adelia J A Aquino, Hans Lischka

J Chem Phys· January 2020

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis