K Alexander Heufer (Malte Döntgen)

ORCID

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 8

Top Venues

The journal of physical chemistry. A

Journal of chemical information and modeling

Journal of chemical theory and computation

Brown University

This page only lists publications with an associated author ORCID identifier.

Affiliation History

Brown University Oct 01 2018 - Sep 30 2019

United States

Postdoctoral Researcher :: School of Engineering

Publications

Malte Döntgen, K Alexander Heufer
Comparative Study of n -C 5 Bond Dissociation Energies and H-Atom Abstraction via H for Alkane, Alcohol, Methyl Ether, Nitroso, Nitro, Nitrite, and Nitrate. The journal of physical chemistry. A (2024)
Indu Sekhar Roy, K Alexander Heufer, Can Huang, Wassja A Kopp, Kai Leonhard
Influence of Oxygen Atoms and Ring Strain on the Low-Temperature Oxidation Pathways of 1,3-Dioxolane. The journal of physical chemistry. A (2023)
K Alexander Heufer, Alina Wildenberg, Karl Alexander Heufer
Theoretical Investigation of Key Properties of the Pyrolysis of Methyl, Ethyl, and Dimethyl Dioxolane Isomers. The journal of physical chemistry. A 126 (44) (2022)
K Alexander Heufer, Yann Fenard, K Alexander Heufer
Atomic Partial Charges as Descriptors for Barrier Heights. Journal of chemical information and modeling 60 (12) (2020)
K Alexander Heufer, Timo T Pekkanen, Satya P Joshi, Raimo S Timonen, Arkke J Eskola
Oxidation Kinetics and Thermodynamics of Resonance-Stabilized Radicals: The Pent-1-en-3-yl + O2 Reaction. The journal of physical chemistry. A 123 (37) (2019)
K Alexander Heufer, Felix Schmalz, Wassja A Kopp, Leif C Kröger, Kai Leonhard
Automated Chemical Kinetic Modeling via Hybrid Reactive Molecular Dynamics and Quantum Chemistry Simulations. Journal of chemical information and modeling 58 (7) (2018)
K Alexander Heufer, Kai Leonhard
Addition to "Reactions of Chemically Activated Formic Acid Formed via HĊO + ȮH". The journal of physical chemistry. A 122 (38) (2018)
Leif C Kröger, Wassja A Kopp, K Alexander Heufer, Kai Leonhard
Assessing Statistical Uncertainties of Rare Events in Reactive Molecular Dynamics Simulations. Journal of chemical theory and computation 13 (9) (2017)

K Alexander Heufer.css-eqlu8i{font-size:small;padding-left:4px;} (Malte Döntgen)

Publication Activity (10 Years)

Top Topics

Top Venues

K Alexander Heufer (Malte Döntgen)