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The Analyst|May 4, 2018
The utility of polarization modulation infrared reflection absorption spectroscopy (PM-IRRAS) in surface and in situ studies: new data processing and presentation approachEvans A Monyoncho, Vlad Zamlynny, Tom K Woo, et al.
The Journal of Chemical Physics|March 24, 2019
Interfacial properties of hydrocarbon/water systems predicted by molecular dynamic simulationsParisa Naeiji, Tom K Woo, Saman Alavi, et al.
Journal of Chemical Theory and Computation|May 12, 2017
A New Split Charge Equilibration Model and REPEAT Electrostatic Potential Fitted Charges for Periodic Frameworks with a Net ChargeMykhaylo Krykunov, Christopher Demone, Jason W-H Lo, et al.
Angewandte Chemie (International Ed. in English)|September 27, 2021
Desulfonative Suzuki-Miyaura Coupling of Sulfonyl FluoridesPaul Chatelain, Cyprien Muller, Abhijit Sau, et al.
ACS Central Science|September 2, 2025
Identification of Metal-Organic Frameworks for near Practical Energy Limit CO2 Capture from Wet Flue Gases: An Integrated Atomistic and Process Simulation Screening of Experimental MOFsOhmin Kwon, Marco Gibaldi, Kasturi Nagesh Pai, et al.
The Journal of Chemical Physics|August 24, 2010
Hydrogen-bonding alcohol-water interactions in binary ethanol, 1-propanol, and 2-propanol+methane structure II clathrate hydratesSaman Alavi, Satoshi Takeya, Ryo Ohmura, et al.
Physical Chemistry Chemical Physics : PCCP|May 8, 2010
Molecular dynamics simulation of (13)C NMR powder lineshapes of CO in structure I clathrate hydrateH Mohammadi-Manesh, Saman Alavi, Tom K Woo, et al.
Science Advances|February 1, 2017
Materials design by evolutionary optimization of functional groups in metal-organic frameworksSean P Collins, Thomas D Daff, Sarah S Piotrkowski, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)|October 20, 2010
On the origin of altered diastereomeric ratios for anionic versus neutral reaction conditions in the oxy-Cope/ene reaction: an interplay of experiment and computational modelingJames Hooper, Effiette L O Sauer, Steve Arns, et al.
Faraday Discussions|July 20, 2017
The anomalous halogen bonding interactions between chlorine and bromine with water in clathrate hydratesHana Dureckova, Tom K Woo, Konstantin A Udachin, et al.
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