List of works - S. Mani Sarathy

Ab Initio, Transition State Theory, and Kinetic Modeling Study of the HO2-Assisted Keto-Enol Tautomerism Propen-2-ol + HO2 ⇔ Acetone + HO2 under Combustion, Atmospheric, and Interstellar Conditions

scientific article published on 13 December 2018

Ab initio and transition state theory study of the OH + HO2 → H2O + O2(3Σg-)/O2(1Δg) reactions: yield and role of O2(1Δg) in H2O2 decomposition and in combustion of H2.

scientific article published on 26 January 2018

Analyzing the solid soot particulates formed in a fuel-rich flame by solvent-free matrix-assisted laser desorption/ionization Fourier transform ion cyclotron resonance mass spectrometry

scientific article published on 01 February 2020

Atmospheric pressure chemical ionization Fourier transform ion cyclotron resonance mass spectrometry for complex thiophenic mixture analysis

scientific article

Computational Kinetics of Hydroperoxybutylperoxy Isomerizations and Decompositions: A Study of the Effect of Hydrogen Bonding

scientific article published on 20 July 2018

Computational singular perturbation analysis of brain lactate metabolism

scientific article published on 17 December 2019

Computational study of the combustion and atmospheric decomposition of 2-methylfuran

scientific article published on 02 August 2013

Effects of methyl substitution on the auto-ignition of C16 alkanes

Gas-to-Liquid Phase Transition of PAH at Flame Temperatures

scientific article published on 28 April 2020

Heats of Formation of Medium-Sized Organic Compounds from Contemporary Electronic Structure Methods.

scientific article published on 21 June 2017

High-Pressure Limit Rate Rules for α-H Isomerization of Hydroperoxyalkylperoxy Radicals

scientific article published on 29 March 2018

Integrated In Situ Characterization of a Molten Salt Catalyst Surface: Evidence of Sodium Peroxide and Hydroxyl Radical Formation.

scientific article published on 26 June 2017

Kinetics of the benzyl + HO2 and benzoxyl + OH barrierless association reactions: fate of the benzyl hydroperoxide adduct under combustion and atmospheric conditions

scientific article published on 15 April 2020

Machine Learning To Predict Standard Enthalpy of Formation of Hydrocarbons

scientific article published on 16 September 2019

Modeling Ignition of a Heptane Isomer: Improved Thermodynamics, Reaction Pathways, Kinetics, and Rate Rule Optimizations for 2-Methylhexane

scientific article

PAH growth initiated by propargyl addition: mechanism development and computational kinetics.

scientific article published on 15 April 2014

Polymeric waste valorization at a crossroads: ten ways to bridge the research on model and complex/real feedstock

scientific article published in 2021

The influence of n -butanol blending on the ignition delay times of gasoline and its surrogate at high pressures ⬇️

Theoretical Kinetic Study of the Unimolecular Keto-Enol Tautomerism Propen-2-ol ↔ Acetone. Pressure Effects and Implications in the Pyrolysis of tert- and 2-Butanol.

scientific article published on 28 March 2018

Theoretical kinetic study of the formic acid catalyzed Criegee intermediate isomerization: multistructural anharmonicity and atmospheric implications

scientific article published on 7 February 2018

Unraveling the structure and chemical mechanisms of highly oxygenated intermediates in oxidation of organic compounds.

scientific article published on 28 November 2017

List of works by S. Mani Sarathy