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PSI3: an open-source Ab Initio electronic structure package.
J Comput Chem. 2007 Jul 15;28(9):1610-1616. doi: 10.1002/jcc.20573.
J Comput Chem. 2007.
PMID: 17420978
Modeling energy landscapes of proton motion in nonaqueous, tethered proton wires.
Viswanathan U, Basak D, Venkataraman D, Fermann JT, Auerbach SM.
Viswanathan U, et al. Among authors: fermann jt.
J Phys Chem A. 2011 Jun 2;115(21):5423-34. doi: 10.1021/jp1051535. Epub 2011 May 9.
J Phys Chem A. 2011.
PMID: 21553870
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Are gas-phase reactions of five-coordinate divalent metal ion complexes affected by coordination geometry?
Combariza MY, Fermann JT, Vachet RW.
Combariza MY, et al. Among authors: fermann jt.
Inorg Chem. 2004 Apr 19;43(8):2745-53. doi: 10.1021/ic0354668.
Inorg Chem. 2004.
PMID: 15074995
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Modeling Proton Transfer in Zeolites: Convergence Behavior of Embedded and Constrained Cluster Calculations.
Fermann JT, Moniz T, Kiowski O, McIntire TJ, Auerbach SM, Vreven T, Frisch MJ.
Fermann JT, et al.
J Chem Theory Comput. 2005 Nov;1(6):1232-9. doi: 10.1021/ct0501203.
J Chem Theory Comput. 2005.
PMID: 26631667
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Substrate Promotes Productive Gas Binding in the α-Ketoglutarate-Dependent Oxygenase FIH.
Taabazuing CY, Fermann J, Garman S, Knapp MJ.
Taabazuing CY, et al.
Biochemistry. 2016 Jan 19;55(2):277-86. doi: 10.1021/acs.biochem.5b01003. Epub 2016 Jan 5.
Biochemistry. 2016.
PMID: 26727884
Free PMC article.
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