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The Journal of Physical Chemistry. B|November 3, 2006
Gemini surfactants at the air/water interface: a fully atomistic molecular dynamics studyEkta Khurana, Steven O Nielsen, Michael L KleinThe Journal of Physical Chemistry. B|July 22, 2011
Hydrogen evolution from formic acid in an ionic liquid solvent: a mechanistic study by ab initio molecular dynamicsB L Bhargava, Yoshiro Yasaka, Michael L KleinThe Journal of Physical Chemistry. A|July 13, 2006
Simulating vapor-liquid nucleation of water: A combined histogram-reweighting and aggregation-volume-bias Monte Carlo investigation for fixed-charge and polarizable modelsBin Chen, J Ilja Siepmann, Michael L KleinAnalytical Chemistry|September 11, 2025
Paired Neural Network for Matching Experimental and Predicted Infrared SpectraSean M Colby, Jessica L Bade, Amy M Jystad, et al.Inorganic Chemistry|August 9, 2014
Synthesis and reactivity of tripodal complexes containing pendant basesJohanna M Blacquiere, Michael L Pegis, Simone Raugei, et al.Chemical Reviews|March 17, 2020
Reduction of Substrates by NitrogenasesLance C Seefeldt, Zhi-Yong Yang, Dmitriy A Lukoyanov, et al.Chemistry (Weinheim an Der Bergstrasse, Germany)|April 26, 2012
The role of pendant amines in the breaking and forming of molecular hydrogen catalyzed by nickel complexesSimone Raugei, Shentan Chen, Ming-Hsun Ho, et al.Plant Physiology|December 11, 2021
Regioselectivity mechanism of the Thunbergia alata Δ6-16:0-acyl carrier protein desaturaseJodie E Guy, Yuanheng Cai, Marcel D Baer, et al.ACS Central Science|December 8, 2016
Homogenous Electrocatalytic Oxygen Reduction Rates Correlate with Reaction Overpotential in Acidic Organic SolutionsMichael L Pegis, Bradley A McKeown, Neeraj Kumar, et al.Journal of the American Chemical Society|May 21, 2011
Moving protons with pendant amines: proton mobility in a nickel catalyst for oxidation of hydrogenMolly O'Hagan, Wendy J Shaw, Simone Raugei, et al.Pageof 45