Travis V. Harris

发表

Protein environmental effects on iron‐sulfur clusters: A set of rules for constructing computational models for inner and outer coordination spheres

Robert K. Szilagyi, Travis V. Harris, R. Szilagyi, 2016, J. Comput. Chem..

Iron–sulfur bond covalency from electronic structure calculations for classical iron–sulfur clusters

Robert K. Szilagyi, Travis V. Harris, R. Szilagyi, 2014, J. Comput. Chem..

The ONIOM Method and Its Applications.

Travis V. Harris, K. Morokuma, Romain Ramozzi, 2015, Chemical reviews.

Mercury(II) binds to both of chymotrypsin's histidines, causing inhibition followed by irreversible denaturation/aggregation

Travis V. Harris, T. Silverstein, Amanda Stratton, 2017, Protein science : a publication of the Protein Society.

Computational SN 2-Type Mechanism for the Difluoromethylation of Lithium Enolate with Fluoroform through Bimetallic C-F Bond Dual Activation.

Travis V. Harris, K. Morokuma, M. Hatanaka, 2016, Chemistry.

Electronic structural investigations of ruthenium compounds and anticancer prodrugs

Travis V. Harris, R. Szilagyi, Karen L. McFarlane Holman, 2009, JBIC Journal of Biological Inorganic Chemistry.

Dithiomethylether as a ligand in the hydrogenase h-cluster.

J. W. Peters, Travis V. Harris, A. Pandey, 2008, Journal of the American Chemical Society.

Ab initio density matrix renormalization group study of magnetic coupling in dinuclear iron and chromium complexes.

Travis V. Harris, K. Morokuma, T. Yanai, 2014, The Journal of chemical physics.

QM/MM structural and spectroscopic analysis of the di-iron(II) and di-iron(III) ferroxidase site in M ferritin.

Travis V. Harris, K. Morokuma, 2013, Inorganic chemistry.

Comparative assessment of the composition and charge state of nitrogenase FeMo-cofactor.

Travis V. Harris, Travis V Harris, Robert K Szilagyi, 2011, Inorganic chemistry.

Development of density functional methods for iron-sulfur clusters : application to the elusive structure of the iron-molybdenum cofactor of nitrogenase

Travis V. Harris, 2011 .

The ONIOM Method and Its Applications.

Travis V. Harris, K. Morokuma, Romain Ramozzi, 2015, Chemical reviews.

Nitrogenase structure and function relationships by density functional theory.

Travis V. Harris, Travis V Harris, Robert K Szilagyi, 2011, Methods in molecular biology.

Dithiomethylether as a ligand in the hydrogenase h-cluster.

J. W. Peters, Travis V. Harris, A. Pandey, 2008, Journal of the American Chemical Society.