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Results: 1-25/42
Authors:
Ji, C
Peters, DG
Davidson, ER
Citation: C. Ji et al., Electrochemical reduction of halogenated pyrimidines at mercury cathodes in acetonitrile, J ELEC CHEM, 500(1-2), 2001, pp. 3-11
Authors:
Chen, FW
Davidson, ER
Citation: Fw. Chen et Er. Davidson, Electronic, structural, and hyperfine interaction investigations on Rydberg molecules: NH4, OH3, and FH2, J PHYS CH A, 105(48), 2001, pp. 10915-10921
Authors:
Chen, FW
Davidson, ER
Citation: Fw. Chen et Er. Davidson, Theoretical study of the electronic spectrum and ESR of the CH2OH radical, J PHYS CH A, 105(18), 2001, pp. 4558-4562
Authors:
Canada-Vilalta, C
Huffman, JC
Streib, WE
Davidson, ER
Christou, G
Citation: C. Canada-vilalta et al., Use of the dicarboxylate ligand m-phenylenedipropionate for the synthesis of new Mn/O clusters. Synthesis, characterization and magnetic properties, POLYHEDRON, 20(11-14), 2001, pp. 1375-1380
Authors:
Staroverov, VN
Davidson, ER
Citation: Vn. Staroverov et Er. Davidson, The Cope rearrangement in theoretical retrospect, J MOL ST-TH, 573, 2001, pp. 81-89
Authors:
Staroverov, VN
Davidson, ER
Citation: Vn. Staroverov et Er. Davidson, Ab initio Compton maps of small molecules, MOLEC PHYS, 99(3), 2001, pp. 175-186
Authors:
Koren, PR
Chen, FW
Davidson, ER
Citation: Pr. Koren et al., Theoretical study of the photoelectron spectra of gaseous Cu3Cl3, MOLEC PHYS, 99(16), 2001, pp. 1329-1334
Authors:
Nakatsuji, H
Davidson, ER
Citation: H. Nakatsuji et Er. Davidson, Structure of the exact wave function. II. Iterative configuration interaction method, J CHEM PHYS, 115(5), 2001, pp. 2000-2006
Authors:
Clark, AE
Davidson, ER
Citation: Ae. Clark et Er. Davidson, Local spin, J CHEM PHYS, 115(16), 2001, pp. 7382-7392
Authors:
Machado, FBC
Ghanty, TK
Chakravorty, S
Davidson, ER
Citation: Fbc. Machado et al., Ab initio calculations on XFnq (X = I, Xe, Cs, and Ba ; n=1, 2, 4, and 6 ;q =-1, 0, +1, and +2) molecules, INT J QUANT, 81(3), 2001, pp. 238-245
Authors:
Staroverov, VN
Davidson, ER
Citation: Vn. Staroverov et Er. Davidson, A density functional method for degenerate spin-multiplet components, CHEM P LETT, 340(1-2), 2001, pp. 142-150
Authors:
Clark, AE
Davidson, ER
Citation: Ae. Clark et Er. Davidson, Model studies of hydrogen atom addition and abstraction processes involving ortho-, meta-, and para-benzynes, J AM CHEM S, 123(43), 2001, pp. 10691-10698
Authors:
Chisholm, MH
Davidson, ER
Huffman, JC
Quinlan, KB
Citation: Mh. Chisholm et al., A comparison of the influences of alkoxide and thiolate ligands on the electronic structure and reactivity of molybdenum(3+) and tungsten(3+) complexes. Preparation and structures of M-2((OBu)-Bu-t)(2)((SBu)-Bu-t)(4), [Mo((SBu)-Bu-t)(3)((NO)](2), and W((SBu)-Bu-t)(3)(NO)(py), J AM CHEM S, 123(39), 2001, pp. 9652-9664
Authors:
Clark, AE
Davidson, ER
Zaleski, JM
Citation: Ae. Clark et al., UDFT and MCSCF descriptions of the photochemical Bergman cyclization of enediynes, J AM CHEM S, 123(11), 2001, pp. 2650-2657
Authors:
Soler, M
Chandra, SK
Ruiz, D
Davidson, ER
Hendrickson, DN
Christou, G
Citation: M. Soler et al., A third isolated oxidation state for the Mn-12 family of single-molecule magnets, CHEM COMMUN, (24), 2000, pp. 2417-2418
Authors:
Coalter, JN
Bollinger, JC
Huffman, JC
Werner-Zwanziger, U
Caulton, KG
Davidson, ER
Gerard, H
Clot, E
Eisenstein, O
Citation: Jn. Coalter et al., Coordinated carbenes from electron-rich olefins on RuHCl(PPr3i)(2), NEW J CHEM, 24(1), 2000, pp. 9-26
Authors:
Gerard, H
Clot, E
Giessner-Prettre, C
Caulton, KG
Davidson, ER
Eisenstein, O
Citation: H. Gerard et al., Fate of CH2=CHE (E = H, OMe) in the presence of unsaturated Ru(X)(H)L-2(q+) (X = Cl, q=0; X = CO, q=1): Highly sensitive to X and E, ORGANOMETAL, 19(12), 2000, pp. 2291-2298
Authors:
Jarzecki, AA
Davidson, ER
Citation: Aa. Jarzecki et Er. Davidson, Kinetic and potential energy of isoelectronic atomic ions from density functional theory compared with exact values, MOLEC PHYS, 98(16), 2000, pp. 1089-1097
Authors:
Dykstra, CE
Davidson, ER
Citation: Ce. Dykstra et Er. Davidson, Enhanced second-order treatment of electron pair correlation, INT J QUANT, 78(4), 2000, pp. 226-236
Authors:
Staroverov, VN
Davidson, ER
Citation: Vn. Staroverov et Er. Davidson, Charge densities for singlet and triplet electron pairs, INT J QUANT, 77(3), 2000, pp. 651-660
Theoretical investigation of electronic structure and ESR hyperfine parameters for the CuH+ molecule
Authors:
Ghanty, TK
Davidson, ER
Citation: Tk. Ghanty et Er. Davidson, Theoretical investigation of electronic structure and ESR hyperfine parameters for the CuH+ molecule, INT J QUANT, 77(1), 2000, pp. 291-300
Authors:
Staroverov, VN
Davidson, ER
Citation: Vn. Staroverov et Er. Davidson, Electron distributions in radicals, INT J QUANT, 77(1), 2000, pp. 316-323
Authors:
Chisholm, MH
Macintosh, AM
Huffman, JC
Wu, DD
Davidson, ER
Clark, RJH
Firth, S
Citation: Mh. Chisholm et al., Dimolybdenum bis((S,S,S)-triisopropanolaminate(3-)): A blue compound with an unusual Mo-Mo triple bonds, INORG CHEM, 39(16), 2000, pp. 3544-3550
Authors:
Davidson, ER
Citation: Er. Davidson, Computational transition metal chemistry, CHEM REV, 100(2), 2000, pp. 351-352
Authors:
Staroverov, VN
Davidson, ER
Citation: Vn. Staroverov et Er. Davidson, Distribution of effectively unpaired electrons, CHEM P LETT, 330(1-2), 2000, pp. 161-168