Copper(I)-Catalyzed Synthesis of Azoles. DFT Study Predicts Unprecedented Reactivity and Intermediates
Himo, Fahmi, Lovell, Timothy, Hilgraf, Robert, Rostovtsev, Vsevolod V, Noodleman, Louis, Sharpless, K. Barry, Fokin, Valery V
Published in Journal of the American Chemical Society (12.01.2005)
Published in Journal of the American Chemical Society (12.01.2005)
Get full text
Journal Article
A Fluorogenic Aryl Fluorosulfate for Intraorganellar Transthyretin Imaging in Living Cells and in Caenorhabditis elegans
Baranczak, Aleksandra, Liu, Yu, Connelly, Stephen, Du, Wen-Ge Han, Greiner, Erin R, Genereux, Joseph C, Wiseman, R. Luke, Eisele, Yvonne S, Bradbury, Nadine C, Dong, Jiajia, Noodleman, Louis, Sharpless, K. Barry, Wilson, Ian A, Encalada, Sandra E, Kelly, Jeffery W
Published in Journal of the American Chemical Society (17.06.2015)
Published in Journal of the American Chemical Society (17.06.2015)
Get full text
Journal Article
The Mössbauer Parameters of the Proximal Cluster of Membrane-Bound Hydrogenase Revisited: A Density Functional Theory Study
Tabrizi, Shadan Ghassemi, Pelmenschikov, Vladimir, Noodleman, Louis, Kaupp, Martin
Published in Journal of chemical theory and computation (12.01.2016)
Published in Journal of chemical theory and computation (12.01.2016)
Get full text
Journal Article
Linking Chemical Electron–Proton Transfer to Proton Pumping in Cytochrome c Oxidase: Broken-Symmetry DFT Exploration of Intermediates along the Catalytic Reaction Pathway of the Iron–Copper Dinuclear Complex
Noodleman, Louis, Han Du, Wen-Ge, Fee, James A, Götz, Andreas W, Walker, Ross C
Published in Inorganic chemistry (07.07.2014)
Published in Inorganic chemistry (07.07.2014)
Get full text
Journal Article
Toward a Chemical Mechanism of Proton Pumping by the B-Type Cytochrome c Oxidases: Application of Density Functional Theory to Cytochrome ba3 of Thermus thermophilus
FEE, James A., CASE, David A., NOODLEMAN, Louis
Published in Journal of the American Chemical Society (12.11.2008)
Published in Journal of the American Chemical Society (12.11.2008)
Get full text
Journal Article
Water exit pathways and proton pumping mechanism in B-type cytochrome c oxidase from molecular dynamics simulations
Yang, Longhua, Skjevik, Åge A., Han Du, Wen-Ge, Noodleman, Louis, Walker, Ross C., Götz, Andreas W.
Published in Biochimica et biophysica acta (01.09.2016)
Published in Biochimica et biophysica acta (01.09.2016)
Get full text
Journal Article
Mechanisms of Tetrazole Formation by Addition of Azide to Nitriles
Himo, Fahmi, Demko, Zachary P, Noodleman, Louis, Sharpless, K. Barry
Published in Journal of the American Chemical Society (16.10.2002)
Published in Journal of the American Chemical Society (16.10.2002)
Get full text
Journal Article
Density Functional and Reduction Potential Calculations of Fe4S4 Clusters
Torres, Rhonda A, Lovell, Timothy, Noodleman, Louis, Case, David A
Published in Journal of the American Chemical Society (19.02.2003)
Published in Journal of the American Chemical Society (19.02.2003)
Get full text
Journal Article
DFT calculations of comparative energetics and ENDOR/Mössbauer properties for two protonation states of the iron dimer cluster of ribonucleotide reductase intermediate X
Han, Wen-Ge, Noodleman, Louis
Published in Dalton transactions : an international journal of inorganic chemistry (01.01.2009)
Published in Dalton transactions : an international journal of inorganic chemistry (01.01.2009)
Get full text
Journal Article
Calibration of DFT Functionals for the Prediction of 57Fe Mössbauer Spectral Parameters in Iron-Nitrosyl and Iron-Sulfur Complexes: Accurate Geometries Prove Essential
Sandala, Gregory M., Hopmann, Kathrin H., Ghosh, Abhik, Noodleman, Louis
Published in Journal of chemical theory and computation (11.10.2011)
Published in Journal of chemical theory and computation (11.10.2011)
Get full text
Journal Article
Data for molecular dynamics simulations of B-type cytochrome c oxidase with the Amber force field
Yang, Longhua, Skjevik, Åge A., Han Du, Wen-Ge, Noodleman, Louis, Walker, Ross C., Götz, Andreas W.
Published in Data in brief (01.09.2016)
Published in Data in brief (01.09.2016)
Get full text
Journal Article
A Structural Model for the High-Valent Intermediate Q of Methane Monooxygenase from Broken-Symmetry Density Functional and Electrostatics Calculations
Lovell, Timothy, Han, Wen-Ge, Liu, Tiqing, Noodleman, Louis
Published in Journal of the American Chemical Society (22.05.2002)
Published in Journal of the American Chemical Society (22.05.2002)
Get full text
Journal Article