화학공학소재연구정보센터
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No. Article
1 Se-77 NMR Spectroscopic, DFT MO, and VBT Investigations of the Reversible Dissociation of Solid (Se6I2)[AsF6](2)center dot 2SO(2) in Liquid SO2 to Solutions Containing 1,4-Se6I22+ in Equilibrium with Se-n(2+) (n=4, 8, 10) and Seven Binary Selenium Iodine Cations: Preliminary Evidence for 1,1,4,4-Se4Br42+ and cyclo-Se7Br+
Brownridge S, Calhoun L, Jenkins HDB, Laitinen RS, Murchie MP, Passmore J, Pietikainen J, Rautiainen JM, Sanders JCP, Schrobilgen GJ, Suontamo RJ, Tuononen HM, Valkonen JU, Wong CM
Inorganic Chemistry, 48(5), 1938, 2009
2 Accounting for the differences in the structures and relative energies of the highly homoatomic np(pi)-np(pi) (n >= 3)-bonded S2I42+, the Se-I pi-bonded Se2I42+, and their higher-energy isomers by AIM, MO, NBO, and VB methodologies
Brownridge S, Crawford MJ, Du HB, Harcourt RD, Knapp C, Laitinen RS, Passmore J, Rautiainen JM, Suontamo RJ, Valkonen J
Inorganic Chemistry, 46(3), 681, 2007
3 The highest bond order between heavier main-group elements in an isolated compound? Energetics and vibrational spectroscopy of S2I4(MF6)(2) (M = As, Sb)
Brownridge S, Cameron TS, Du HB, Knapp C, Koppe R, Passmore J, Rautiainen JM, Schnockel H
Inorganic Chemistry, 44(6), 1660, 2005
4 Efficient calculation of electron paramagnetic resonance g-tensors by multireference configuration interaction sum-over-state expansions, using the atomic mean-field spin-orbit method
Brownridge S, Grein F, Tatchen J, Kleinschmidt M, Marian CM
Journal of Chemical Physics, 118(21), 9552, 2003
5 Geometries, electronic g-tensor elements, hyperfine coupling constants, and vertical excitation energies for small gallium arsenide doublet radicals, GaxAsy (x + y=3, 5)
Brownridge S, Grein F
Journal of Physical Chemistry A, 107(39), 7969, 2003