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Ian Carmichael
Researcher at University of Notre Dame
Publications - 145
Citations - 4888
Ian Carmichael is an academic researcher from University of Notre Dame. The author has contributed to research in topics: Ab initio & Density functional theory. The author has an hindex of 34, co-authored 145 publications receiving 4493 citations. Previous affiliations of Ian Carmichael include Energy Research and Development Administration & National University of La Plata.
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Journal ArticleDOI
Triplet-triplet absorption spectra of organic molecules in condensed phases
Ian Carmichael,Gordon L. Hug +1 more
TL;DR: In this paper, a compilation of spectral parameters associated with triplet-triplet absorption of organic molecules in condensed media is presented, including wavelengths of maximum absorbance and corresponding extinction coefficients.
Journal ArticleDOI
Role of water in electron-initiated processes and radical chemistry: issues and scientific advances.
Bruce C. Garrett,David A. Dixon,Donald M. Camaioni,Daniel M. Chipman,Mark A. Johnson,Charles D. Jonah,Gregory A. Kimmel,John H. Miller,Thomas N. Rescigno,Peter J. Rossky,Sotiris S. Xantheas,Steven D. Colson,Allan H. Laufer,Douglas Ray,Paul F. Barbara,David M. Bartels,Kurt Becker,Kit H. Bowen,Stephen E. Bradforth,Ian Carmichael,James V. Coe,L. René Corrales,James P. Cowin,Michel Dupuis,Kenneth B. Eisenthal,James A. Franz,Maciej Gutowski,Kenneth D. Jordan,Bruce D. Kay,Jay A. LaVerne,Sergei V. Lymar,Theodore E. Madey,C. William McCurdy,Dan Meisel,Shaul Mukamel,Anders Nilsson,Thomas M. Orlando,Nikolay G. Petrik,Simon M. Pimblott,James R. Rustad,Gregory K. Schenter,Sherwin J. Singer,Andrei Tokmakoff,Lai-Sheng Wang,Curt Wettig,Timothy S. Zwier +45 more
TL;DR: Chemical Science Division, Pacific Northwest National Laboratory, P.O. Box 999, Richland, Washington 99352; Department of Chemistry, ShelbyHall, University of Alabama, Box 870336, Tuscaloosa, Alabama 35487-0336; Notre Dame Radiation Laboratory, Universityof Notre Dame,Notre Dame, Indiana 46556.
Journal ArticleDOI
Hydroxymethyl group conformation in saccharides: structural dependencies of (2)J(HH), (3)J(HH), and (1)J(CH) spin-spin coupling constants.
TL;DR: New Karplus equations derived from J-couplings computed from density functional theory (DFT) in a model aldopyranosyl ring are in excellent agreement with experimental values and with couplings predicted from a previously reported general Karplus equation, confirming the reliability of DFT-calculated (1]H-(1)H couplings in saccharides.
Journal ArticleDOI
Extinction Coefficients of Triplet–Triplet Absorption Spectra of Organic Molecules in Condensed Phases: A Least‐Squares Analysis
TL;DR: In this article, a global least-squares technique is developed to assist in the critical evaluation of data consisting of large sets of measurements, particularly designed to handle sets of data where many of the measurements are relative measurements.
Journal ArticleDOI
Three-Bond C−O−C−C Spin-Coupling Constants in Carbohydrates: Development of a Karplus Relationship
Bidisha Bose,Shikai Zhao,Roland Stenutz,Francis Cloran,Paul B. Bondo,Gail Bondo,Brian Hertz,Ian Carmichael,Anthony S. Serianni +8 more
TL;DR: A range of 13C-labeled carbohydrates containing C−O−C−C coupling pathways having different structures and dihedral angles has been prepared and used to identify structural factors affecting 3JCOCC as discussed by the authors.