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Results: 1-25/47
Authors:
Kwon, O
Sevin, F
McKee, ML
Citation: O. Kwon et al., Density functional calculations of methyllithium, t-butyllithium, and phenyllithium oligomers: Effect of hyperconjugation on conformation, J PHYS CH A, 105(5), 2001, pp. 913-922
Authors:
Kwon, O
McKee, ML
Citation: O. Kwon et Ml. Mckee, Theoretical study of ring exchange in the borocenium cation, [B(C5R5)(2)](+) (R = H, Me), J PHYS CH A, 105(44), 2001, pp. 10133-10138
Authors:
Kwon, O
McKee, ML
Citation: O. Kwon et Ml. Mckee, Theoretical calculations on the NCCP potential energy surface, J PHYS CH A, 105(2), 2001, pp. 478-483
Authors:
Simsek, N
Arici, C
McKee, ML
Ulku, D
Balci, M
Citation: N. Simsek et al., High-temperature bromination XIII: Bromination of dimethyl 7-oxabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate, STRUCT CHEM, 12(3-4), 2001, pp. 305-311
Authors:
Hung, ML
McKee, ML
Stanbury, DM
Citation: Ml. Hung et al., Large reorganizational energies in electron transfer: Oxidation of hydroxylamine by hexachloroiridate(IV) (vol 33, pg 5108, 1994), INORG CHEM, 40(9), 2001, pp. 2206-2206
Authors:
McKee, ML
Citation: Ml. Mckee, Proposed fluorination mechanism of CB5H6- and CB9H10- with HF. Evidence ofkinetic control in the formation of 2-CB5H5F- and 6-CB9H9F-, INORG CHEM, 40(22), 2001, pp. 5612-5619
Authors:
McKee, ML
Shevlin, PB
Zottola, M
Citation: Ml. Mckee et al., A plethora of carbene interconversions on the C5H4S energy surface: A computational study, J AM CHEM S, 123(38), 2001, pp. 9418-9425
Authors:
McKee, ML
Citation: Ml. Mckee, Density functional study of the retrocyclization of norbornadiene and norbornene catalyzed by Fe+, J AM CHEM S, 123(38), 2001, pp. 9426-9435
Authors:
Sevin, F
McKee, ML
Citation: F. Sevin et Ml. Mckee, Reactions of 1,3-cyclohexadiene with singlet oxygen. A theoretical study, J AM CHEM S, 123(19), 2001, pp. 4591-4600
Authors:
McKee, ML
Wine, PH
Citation: Ml. Mckee et Ph. Wine, Ab initio study of the atmospheric oxidation of CS2, J AM CHEM S, 123(10), 2001, pp. 2344-2353
Authors:
Kwon, O
McKee, ML
Citation: O. Kwon et Ml. Mckee, Main group half-sandwich and full-sandwich metallocenes, COMPUTATIONAL ORGANOMETALLIC CHEMISTRY, 2001, pp. 397-423
Authors:
Kwon, O
McKee, ML
Citation: O. Kwon et Ml. Mckee, Calculations of band gaps in polyaniline from theoretical studies of oligomers, J PHYS CH B, 104(8), 2000, pp. 1686-1694
Authors:
McKee, ML
Citation: Ml. Mckee, Theoretical study of hydrogen exchange in the reaction of FeC5H6+ with H-2, INT J MASS, 201(1-3), 2000, pp. 143-149
Authors:
Balci, M
McKee, ML
Schleyer, PV
Citation: M. Balci et al., Theoretical study of tetramethyl- and tetra-tert-butyl-substituted cyclobutadiene and tetrahedrane, J PHYS CH A, 104(6), 2000, pp. 1246-1255
Authors:
McKee, ML
Sweany, RL
Citation: Ml. Mckee et Rl. Sweany, Interactions of molecular hydrogen with alkali metal halides in argon matrices: A computational model, J PHYS CH A, 104(5), 2000, pp. 962-967
Authors:
Kwon, O
McKee, ML
Citation: O. Kwon et Ml. Mckee, Theoretical calculations of band gaps in the aromatic structures of polythieno[3,4-b]benzene and polythieno[3,4-b]pyrazine, J PHYS CH A, 104(30), 2000, pp. 7106-7112
Authors:
Balci, M
McKee, ML
Schleyer, PV
Citation: M. Balci et al., Theoretical study of tetramethyl- and tetra-tert-butyl-substituted cyclobutadiene and tetrahedrane (vol 104A, pg 1246, 2000), J PHYS CH A, 104(26), 2000, pp. 6338-6338
Authors:
Daugherty, AL
McKee, ML
FitzGerald, DJ
Mrsny, RJ
Citation: Al. Daugherty et al., Epithelial application of Pseudomonas aeruginosa exotoxin A results in a selective targeting to cells in the liver, spleen and lymph node, J CONTR REL, 65(1-2), 2000, pp. 297-302
Authors:
Charkin, OP
Klimenko, NM
McKee, ML
Citation: Op. Charkin et al., Ab initio study of the structure, stability, and vibrational spectra of chlorine and argon fluoride and oxide molecules and ions, RUSS J IN C, 45(9), 2000, pp. 1369-1378
Authors:
Charkin, OP
Klimenko, NM
McKee, ML
Citation: Op. Charkin et al., Ab initio study of the isomerism of (LiAB)(2) salt dimers with 24 valence electrons (AB(-) = NO-, PO-, NS-, PS-), RUSS J IN C, 45(7), 2000, pp. 1080-1090
Authors:
Charkin, OP
Klimenko, NM
McKee, ML
Citation: Op. Charkin et al., Ab initio study of the isomerism, structure, and stability of dimeric saltmolecules (LiMgH3)(2) and (LiMgF3)(2) and their fragments, RUSS J IN C, 45(6), 2000, pp. 879-891
Authors:
Charkin, DO
McKee, ML
Charkin, OP
Citation: Do. Charkin et al., Ab initio study of isomerism, structure, and stability of complex salt molecules of oxo- and thiodihalo- and thiodihydroborates and -aluminates Li[X2MY] (M = B, Al; X=F, Cl, H; Y=O,S), RUSS J IN C, 45(5), 2000, pp. 748-757
Authors:
Charkin, OP
Klimenko, NM
McKee, ML
Citation: Op. Charkin et al., Ab initio study of isomerism, structure, and stability of dimeric molecules of beryllate salts (LiBeH3)(2) and (LiBeF3)(2) and their fragments, RUSS J IN C, 45(5), 2000, pp. 758-770
Authors:
Charkin, OP
Klimenko, NM
McKee, ML
Citation: Op. Charkin et al., Ab initio study of structurally nonrigid molecules of LiSiX5 salts and LiPX5+ (X = F, H) ion-molecular complexes, RUSS J IN C, 45(4), 2000, pp. 566-576
Authors:
Charkin, OP
Klimenko, NM
McKee, ML
Citation: Op. Charkin et al., Ab initio study of isomerism of Li(2)AB(2) molecules and Li(2)AB(2)(+) ions with 16 valence electrons, RUSS J IN C, 45(11), 2000, pp. 1714-1725