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Binuclear 1,2,4,5-tetraimino-3,6-diketocyclohexane bis[bis(bipyridine)ruthenium(II)] redox series Masui H, Freda AL, Zerner MC, Lever ABP Inorganic Chemistry, 39(1), 141, 2000 |
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Ligand binding inside the cavities of lacunar and saddle-shaped cyclidene complexes: Molecular mechanics and molecular dynamics studies Rybak-Akimova EV, Kuczera K Inorganic Chemistry, 39(12), 2462, 2000 |
3 |
Projected unrestricted Hartree-Fock calculations and the magnetism of large nickel clusters Estiu GL, Cory MG, Zerner MC Journal of Physical Chemistry A, 104(2), 233, 2000 |
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Effects of alkyl substituents on the excited states of naphthalene: Semiempirical study Mora-Diez N, Boyd RJ, Heard GL Journal of Physical Chemistry A, 104(5), 1020, 2000 |
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CISINDO/S SCRF study of electron transfer excited states in a 1-pyrenyl substituted 1-methyluracil-5-carboxamide nucleoside model: Dielectric continuum solvation effects on electron transfer states Mitchell CD, Netzel TL Journal of Physical Chemistry B, 104(1), 125, 2000 |
6 |
Salting benzenes Gurney RW, Mitchell CA, Ham S, Bastin LD, Kahr B Journal of Physical Chemistry B, 104(5), 878, 2000 |
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Electronic, magnetic, and spectroscopic properties of binuclear diruthenium tetracarboxylates: A theoretical and experimental study Estiu G, Cukiernik FD, Maldivi P, Poizat O Inorganic Chemistry, 38(13), 3030, 1999 |
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Molecular shape and solvation of the lacunar, saddle-shaped, and planar metal cyclidene complexes: Molecular dynamics studies Rybak-Akimova EV, Kuczera K, Jas GS, Deng YP, Busch DH Inorganic Chemistry, 38(14), 3423, 1999 |
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Bis(2,2 '-bipyridine) (1,2 diimino-9,10-anthraquinone) ruthenium(II) derivatives: A ZINDO analysis of a redox series involving coupled proton and electron transfers da Cunha CJ, Dodsworth ES, Monteiro MA, Lever ABP Inorganic Chemistry, 38(23), 5399, 1999 |
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A class IV charge model for molecular excited states Li JB, Williams B, Cramer CJ, Truhlar DG Journal of Chemical Physics, 110(2), 724, 1999 |