Jr. Charles W. Bauschlicher
Ames Research Center
8 Papers
49 Citations
Jr. Charles W. Bauschlicher is an academic researcher from Ames Research Center. The author has contributed to research in topics: Infrared spectroscopy & Ionic bonding. The author has an hindex of 7, co-authored 8 publications.
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Papers
Chemical Bonding, Electron Affinity, and Ionization Energies of the Homonuclear 3d Metal Dimers
TL;DR: In this article, the electronic and geometrical structures of the homonuclear 3D metal dimers M2 (from Sc2 to Zn2) as well as their anions and cations are computed using density functional theory with six generalized gradient approximations for the exchange-correlation potential.
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Infrared Spectra and Quantum Chemical Calculations of Group 2 MO2, O2MO2, and Related Molecules
Lester Andrews,George V. Chertihin,Craig A. Thompson,and Janet Dillon,Susan Byrne,Jr. Charles W. Bauschlicher +5 more
TL;DR: In this paper, laser-ablated group 2 metal atoms have been reacted with O2 in condensing N2 to complement earlier Ar studies owing to different relaxation dynamics of N2 and Ar with respect to excited metal atoms and ionic product molecules.
58
Accurate Heats of Formation for BFn, BFn+, BCln, and BCln+ for n = 1−3
TL;DR: In this paper, the geometries and vibrational frequencies are determined at the B3LYP level of theory, and the energy properties of BFn, BFn+, BCln, and BCLn+, for n = 1−3.
31
Infrared spectra of polycyclic aromatic hydrocarbons : nitrogen substitution
Jr. Charles W. Bauschlicher
- 15 Jul 1998
TL;DR: In this article, the B3LYP/4-31G approach is used to compute the harmonic frequencies of substituted naphthalene, anthracene, and their cations.
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Erratum: "The Reaction of Polycyclic Aromatic Hydrocarbon Cations with Hydrogen Atoms: The Astrophysical Implications" (ApJ, 509, L125 [1998])
Abstract: In the Letter “On the Radio–to–X-Ray Light Curves of SN 1998bw and GRB 980425 by K. Iwamoto (ApJ, 512, L47 [1999]), the version of the light curve was not accurate enough and has been replaced by the one presented here. The late-time optical light curve of model CO138 is calculated by extending the exponential decay of the light curve of the same model as presented in K. Iwamoto et al. (Nature, 395, 672 [1998]).
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