Raymond Bair, Ph.D. - Publications

1978-1982 Chemistry California Institute of Technology, Pasadena, CA 
 1982- Math Computer Science Argonne National Laboratory, Lemont, IL, United States 
high performance computing

10 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2021 Kowalski K, Bair R, Bauman NP, Boschen JS, Bylaska EJ, Daily J, de Jong WA, Dunning T, Govind N, Harrison RJ, Keçeli M, Keipert K, Krishnamoorthy S, Kumar S, Mutlu E, et al. From NWChem to NWChemEx: Evolving with the Computational Chemistry Landscape. Chemical Reviews. PMID 33788546 DOI: 10.1021/acs.chemrev.0c00998  0.501
2008 Catlett C, Allcock WE, Andrews P, Aydt R, Bair R, Balac N, Banister B, Barker T, Bartelt M, Beckman P, Berman F, Bertoline G, Blatecky A, Boisseau J, Bottum J, et al. TeraGrid: Analysis of organization, system architecture, and middleware enabling new types of applications Advances in Parallel Computing. 16: 225-249.  0.564
1993 Harrison R, Bair R. Introduction: Parallel Computing in Chemical Physics Theoretica Chimica Acta. 84: 255-256. DOI: 10.1007/Bf01113265  0.41
1986 Dunning TH, Harding LB, Bair RA, Eades RA, Shepard RL. Theoretical studies of the energetics and mechanisms of chemical reactions: Abstraction reactions Journal of Physical Chemistry. 90: 344-356. DOI: 10.1021/J100275A001  0.623
1985 Bair RA, Dunning TH. Theoretical studies of the reactions of HCN with atomic hydrogen The Journal of Chemical Physics. 82: 2280-2294. DOI: 10.1063/1.448323  0.595
1983 Harding LB, Wagner AF, Bair RA, Dunning TH. THEORETICAL STUDIES OF CHEMICAL REACTIONS OF IMPORTANCE IN FLAMES Brookhaven National Laboratory (Report) Bnl. 74-76.  0.592
1982 Bair RA, Goddard WA. Ab initio studies of the structures of peroxides and peroxy radicals Journal of the American Chemical Society. 104: 2719-2724. DOI: 10.1021/Ja00374A006  0.398
1980 Bair RA, Goddard WA. Ab initio studies of the x-ray absorption edge in copper complexes. I. Atomic Cu2+ and Cu(ii)Cl2 Physical Review B. 22: 2767-2776. DOI: 10.1103/Physrevb.22.2767  0.369
1978 Bair RA, Goddard WA. Theoretical studies of the ground and excited states of a model of the active site in oxidized and reduced rubredoxin Journal of the American Chemical Society. 100: 5669-5676.  0.38
1977 Bair RA, Goddard WA. Theoretical studies of the oxidized and reduced states of a model for the active site of rubredoxin. Journal of the American Chemical Society. 99: 3505-7. PMID 853189 DOI: 10.1021/Ja00452A055  0.38
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