Publications by authors named "Thomas Furlani"

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Postoperative Restrictive Opioid Protocols and Durable Changes in Opioid Prescribing and Chronic Opioid Use.
Emese Zsiros, Jason Ricciuti, Steven Gallo, Deanna Argentieri, Kristopher Attwood, Thomas Furlani

JAMA Oncol· February 2023

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Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package.
Evgeny Epifanovsky, Andrew T B Gilbert, Xintian Feng, Joonho Lee, Yuezhi Mao, Thomas R Furlani

J Chem Phys· August 2021

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GenESysV: a fast, intuitive and scalable genome exploration open source tool for variants generated from high-throughput sequencing projects.
Mohammad Zia, Paul Spurgeon, Adrian Levesque, Thomas Furlani, Jianxin Wang

BMC Bioinformatics· January 2019

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Optimal Path Search for Recurrence Relation in Cartesian Gaussian Integrals.
Fenglai Liu, Thomas Furlani, Jing Kong

J Phys Chem A· December 2016

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Combined QM/MM study of thyroid and steroid hormone analogue interactions with αvβ3 integrin.
Marek Freindorf, Thomas R Furlani, Jing Kong, Vivian Cody, Faith B Davis

J Biomed Biotechnol· October 2012

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Comparison of the performance of exact-exchange-based density functional methods.
Fenglai Liu, Emil Proynov, Jian-Guo Yu, Thomas R Furlani, Jing Kong

J Chem Phys· September 2012

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Reactions within fluorobenzene-ammonia heterocluster ions: experiment and theory.
Kristin Butterworth, Chi-Tung Chiang, Brian Cunningham, Marek Freindorf, Thomas R Furlani

J Phys Chem A· March 2012

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Reactions within p-difluorobenzene/methanol heterocluster ions: a detailed experimental and theoretical investigation.
Kevin S Shores, Jay P Charlebois, Chi-Tung Chiang, Robert L DeLeon, Marek Freindorf, Thomas R Furlani

J Phys Chem A· March 2009

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Size-restricted proton transfer within toluene-methanol cluster ions.
Chi-Tung Chiang, Kevin S Shores, Marek Freindorf, Thomas Furlani, Robert L DeLeon

J Phys Chem A· November 2008

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Combined QM/MM calculations of active-site vibrations in binding process of P450cam to putidaredoxin.
Marek Freindorf, Yihan Shao, Jing Kong, Thomas R Furlani

J Inorg Biochem· March 2008

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Enhancement of a Lewis acid-base interaction via solvation: ammonia molecules and the benzene radical cation.
Chi-Tung Chiang, Marek Freindorf, Thomas Furlani, Robert L DeLeon, John P Richard

J Phys Chem A· July 2007

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Advances in methods and algorithms in a modern quantum chemistry program package.
Yihan Shao, Laszlo Fusti Molnar, Yousung Jung, Jörg Kussmann, Christian Ochsenfeld, Thomas R Furlani

Phys Chem Chem Phys· July 2006

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Lennard-Jones parameters for the combined QM/MM method using the B3LYP/6-31G*/AMBER potential.
Marek Freindorf, Yihan Shao, Thomas R Furlani, Jing Kong

J Comput Chem· September 2005

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