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Palmer, Michael H., Nelson, Alistair D. (2006) The molecular properties of the halogen pseudohalides studied by both ab initio and DFT methods. Journal of Molecular Structure, 825 (1) 93-100 doi:10.1016/j.molstruc.2006.03.104

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Reference TypeJournal (article/letter/editorial)
TitleThe molecular properties of the halogen pseudohalides studied by both ab initio and DFT methods
JournalJournal of Molecular Structure
AuthorsPalmer, Michael H.Author
Nelson, Alistair D.Author
Year2006 (December)Volume825
Issue1
PublisherElsevier BV
DOIdoi:10.1016/j.molstruc.2006.03.104Search in ResearchGate
Generate Citation Formats
Mindat Ref. ID16562235Long-form Identifiermindat:1:5:16562235:6
GUID0
Full ReferencePalmer, Michael H., Nelson, Alistair D. (2006) The molecular properties of the halogen pseudohalides studied by both ab initio and DFT methods. Journal of Molecular Structure, 825 (1) 93-100 doi:10.1016/j.molstruc.2006.03.104
Plain TextPalmer, Michael H., Nelson, Alistair D. (2006) The molecular properties of the halogen pseudohalides studied by both ab initio and DFT methods. Journal of Molecular Structure, 825 (1) 93-100 doi:10.1016/j.molstruc.2006.03.104
In(2006, December) Journal of Molecular Structure Vol. 825 (1) Elsevier BV

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Palmer, Michael H., Nelson, Alistair D. (2006) The molecular and electronic structures of the halogen pseudohalides, a comparison of ab initio and DFT calculated structural and vibrational results with spectroscopic data. Journal of Molecular Structure, 782 (2) 94-105 doi:10.1016/j.molstruc.2005.07.022
Palmer, Michael H., Nelson, Alistair D. (2007) The nuclear quadrupole coupling of the halogen pseudohalides: A comparison of ab initio and DFT studies with spectroscopic data. Journal of Molecular Structure, 828 (1) 91-101 doi:10.1016/j.molstruc.2006.05.042
Palmer, Michael H., Nelson, Alistair D. (2004) The structures of the azido-, isocyanato- and isothiocyanato-derivatives of methane and silane and their derivatives. A comparison of ab initio with experimental results. Journal of Molecular Structure, 689 (1) 161-173 doi:10.1016/j.molstruc.2003.11.008
Palmer, Michael H., Nelson, Alistair D. (2003) The structures of the azido-, isocyanato- and isothiocyanato- derivatives of methane and silane and their derivatives. A comparison of ab initio with experimental results. Journal of Molecular Structure, 660 (1) 49-65 doi:10.1016/j.molstruc.2003.07.007
Palmer, Michael H., Nelson, Alistair D. (2008) The electronic states of chlorine oxide (Cl2O) studied by ab initio configuration interaction methods and spectroscopy. Chemical Physics, 354. 94-105 doi:10.1016/j.chemphys.2008.09.011
PALMER, MICHAEL H., NELSON, ALISTAIR D. (2002) An ab initio molecular orbital study of the electronically excited and cationic states of the ozone molecule and a comparison with spectral data. Molecular Physics, 100. 3601-3614 doi:10.1080/0026897021000014893
Palmer, Michael H, Nelson, Alistair D (2004) Corrigendum to “The structures of the azido-, isocyanato- and isothiocyanato-derivatives of methane and silane and their derivatives. A comparison of ab initio with experimental results” [J. Molstruc. 660 (2003) 49–65]. Journal of Molecular Structure, 689 (1) 159 doi:10.1016/j.molstruc.2003.12.016
Palmer, Michael H., Christen, Dines (2004) An ab initio study of the structure, tautomerism and molecular properties of the C- and N-amino-1,2,4-triazoles. Journal of Molecular Structure, 705 (1) 177-187 doi:10.1016/j.molstruc.2004.07.001
Palmer, Michael H., Wheeler, J.Ross, Findlay, Robert H., Westwood, N.P.C., Lau, W.M. (1981) The molecular and electronic structure of tetrasulphurdinitride; a study by ab initio molecular orbital methods. Journal of Molecular Structure: THEOCHEM, 86. 193-195 doi:10.1016/0166-1280(81)85086-5
Palmer, Michael H., Nisbet, John D. (1980) The molecular and electronic structure of homoaromatic compounds: cis,cis,cis-cyclonona-1,4,7-triene and 1,4,7-trioxonin; a study by photoelectron spectroscopy and ab initio molecular orbital methods. Journal of Molecular Structure, 67. 65-80 doi:10.1016/0022-2860(80)80351-6
Palmer, Michael H., Walker, Isobel C. (2010) The electronic states of buta-1,3-diene studied by ab initio configuration interaction and DFT methods, and electron energy loss spectroscopy. Chemical Physics, 373. 159-169 doi:10.1016/j.chemphys.2010.04.016
 
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