Sparse maps—A systematic infrastructure for reduced-scaling electronic structure methods. II. Linear scaling domain based pair natural orbital coupled cluster theory

• Reactions of chemically activated oxosilanol formed via SiO2+H2

  2026 Proceedings of the Combustion Institute article Engineering Phase Equilibria and Thermodynamics Open access

  0

  citations
• Ab Initio Investigation of Primary Fuel Reactions of Monoaromatic Hydrocarbons under Pyrolytic Conditions: Anisole, Phenetole, and the 2-, 3-, 4-Methylanisole Isomers

  2025 The Journal of Physical Chemistry A article Engineering Heat transfer and supercritical fluids

  3

  citations
• Computational Investigation of the High-Temperature Chemistry of Small Hydroxy Ethers: Methoxymethanol, Ethoxymethanol, and 2-Methoxyethanol

  2024 The Journal of Physical Chemistry A article Chemistry Chemical Thermodynamics and Molecular Structure

  3

  citations
• Arene Ring Expansion by Ruthenium η 6 ‐Arene Complexes

  2024 Angewandte Chemie International Edition article Chemistry Asymmetric Hydrogenation and Catalysis Open access

  2

  citations
• Arene Ring Expansion by Ruthenium η 6 ‐Arene Complexes

  2024 Angewandte Chemie article Chemistry Organometallic Complex Synthesis and Catalysis Open access

  0

  citations
• Comparative Study of n-C5 Bond Dissociation Energies and H-Atom Abstraction via H for Alkane, Alcohol, Methyl Ether, Nitroso, Nitro, Nitrite, and Nitrate

  2024 The Journal of Physical Chemistry A article Physics and Astronomy Advanced Chemical Physics Studies

  1

  citations
• Molecular Dynamics and Structural Studies of Zinc Chloroquine Complexes

  2022 Journal of Chemical Information and Modeling article Nursing Trace Elements in Health Open access

  11

  citations
• Pathway exploration in low-temperature oxidation of a new-generation bio-hybrid fuel 1,3-dioxane

  2022 Proceedings of the Combustion Institute article Materials Science Catalytic Processes in Materials Science Open access

  11

  citations
• Theoretical Investigation of Key Properties of the Pyrolysis of Methyl, Ethyl, and Dimethyl Dioxolane Isomers

  2022 The Journal of Physical Chemistry A article Chemistry Free Radicals and Antioxidants

  7

  citations
• An experimental and computational investigation of the reaction between pent-1-en-3-yl radicals and oxygen molecules under autoignition conditions

  2022 Proceedings of the Combustion Institute article Earth and Planetary Sciences Atmospheric chemistry and aerosols Open access

  1

  citations
• Molecular Dynamics and Structural Studies of Zinc Chloroquine Complexes

  2022 ChemRxiv preprint Medicine Metal complexes synthesis and properties Open access

  2

  citations
• Molecular Dynamics and Structural Studies of Zinc Chloroquine Complexes

  2022 ChemRxiv preprint Medicine Metal complexes synthesis and properties Open access

  0

  citations
• Effect of methyl substituents, ring size, and oxygen on bond dissociation energies and ring-opening kinetics of five- and six-membered cyclic acetals

  2022 Combustion and Flame article Chemical Engineering Catalysis and Oxidation Reactions

  27

  citations
• Shock tube study of the pyrolysis kinetics of Di- and trimethoxy methane

  2022 Combustion and Flame article Chemical Engineering Advanced Combustion Engine Technologies

  18

  citations
• A Comprehensive Experimental and Kinetic Modeling Study of the Combustion Chemistry of Diethoxymethane

  2021 Energy & Fuels article Chemical Engineering Advanced Combustion Engine Technologies

  30

  citations

15 results