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Raymond Bair, Ph.D. - Publications

Affiliations: 
1978-1982 Chemistry California Institute of Technology, Pasadena, CA 
 1982- Math Computer Science Argonne National Laboratory, Lemont, IL, United States 
Area:
high performance computing
Website:
http://www.mcs.anl.gov/~bair/
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12 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
2023 Richard RM, Keipert K, Waldrop J, Keçeli M, Williams-Young D, Bair R, Boschen J, Crandall Z, Gasperich K, Mahmud QI, Panyala A, Valeev E, van Dam H, de Jong WA, Windus TL. PluginPlay: Enabling exascale scientific software one module at a time. The Journal of Chemical Physics. 158. PMID 37171197 DOI: 10.1063/5.0147903  0.68
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  0.581
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.  0.582
2005 Bair R, Seidel E, Daydé M, Palma JL. Topic 16 - Applications of high-performance and grid computing Lecture Notes in Computer Science. 3648: 1205.  0.325
1993 Harrison R, Bair R. Introduction: Parallel Computing in Chemical Physics Theoretica Chimica Acta. 84: 255-256. DOI: 10.1007/Bf01113265  0.426
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  0.637
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  0.597
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.  0.591
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  0.39
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  0.376
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.  0.376
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  0.375
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