Corneliu Buda, Ph.D. - Publications

2004 University of North Texas, Denton, TX, United States 
computational chemistry, inorganic, organometallic chemistry

9 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
2008 Gary JB, Buda C, Johnson MJA, Dunietz BD. Accessing metal-carbide chemistry. A computational analysis of thermodynamic considerations Organometallics. 27: 814-826. DOI: 10.1021/Om0702072  0.349
2007 Rosenfeld DC, Wolczanski PT, Barakat KA, Buda C, Cundari TR, Schroeder FC, Lobkovsky EB. Synthesis and reactivity of [(silox)2Mo=NR]2Hg (R=tBu, tAmyl; silox=OSitBu3): unusual thermal stability and ready nucleophilic cleavage rationalized by electronic factors. Inorganic Chemistry. 46: 9715-35. PMID 17939653 DOI: 10.1021/Ic7010953  0.583
2005 Buda C, Kazi AB, Dinescu A, Cundari TR. Stability studies of transition-metal linkage isomers using quantum mechanical methods. Groups 11 and 12 transition metals. Journal of Chemical Information and Modeling. 45: 965-70. PMID 16045290 DOI: 10.1021/Ci050050T  0.618
2005 Rosenfeld DC, Wolczanski PT, Barakat KA, Buda C, Cundari TR. 3-center-4-electron bonding in [(silox)2Mo=NtBu]2(mu-Hg) controls reactivity while frontier orbitals permit a dimolybdenum pi-bond energy estimate. Journal of the American Chemical Society. 127: 8262-3. PMID 15941241 DOI: 10.1021/Ja051070E  0.584
2005 Sydora OL, Wolczanski PT, Lobkovsky EB, Buda C, Cundari TR. Low-coordinate chromium siloxides: the "box" [Cr(mu-Cl)(mu-OSitBu3)]4, distorted trigonal [(tBu3SiO)3Cr][Na(benzene)] and [(tBu3SiO)3Cr][Na(dibenzo-18-c-6)], and trigonal (tBu3SiO)3Cr. Inorganic Chemistry. 44: 2606-18. PMID 15819545 DOI: 10.1021/Ic0488334  0.478
2005 Buda C, Flores A, Cundari TR. De novo prediction of the ground state structure of transition metal complexes using semiempirical and ab initio quantum mechanics. Coordination isomerism Journal of Coordination Chemistry. 58: 575-585. DOI: 10.1080/00958970500038258  0.485
2004 Buda C, Cundari TR. De novo prediction of ground state multiplicity and structural isomerism for transition metal complexes Journal of Molecular Structure: Theochem. 686: 137-145. DOI: 10.1016/J.Theochem.2004.08.021  0.499
2002 Buda C, Burt SK, Cundari TR, Shenkin PS. De novo structural prediction of transition metal complexes: application to technetium. Inorganic Chemistry. 41: 2060-9. PMID 11952359 DOI: 10.1021/Ic0109748  0.503
2002 Ball DM, Buda C, Gillespie AM, White DP, Cundari TR. Can semiempirical quantum mechanics be used to predict the spin state of transition metal complexes? An application of de novo prediction. Inorganic Chemistry. 41: 152-6. PMID 11782157 DOI: 10.1021/Ic0108437  0.491
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