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Sundholm, Dage (1995) Ab Initio Study of Nuclear Magnetic Shieldings and Ultraviolet Spectra for Hypothiocyanite and Its Isomers. The Molecular Structure of Hypothiocyanite. Journal Of The American Chemical Society, 117 (46) 11523-11528 doi:10.1021/ja00151a016

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Reference TypeJournal (article/letter/editorial)
TitleAb Initio Study of Nuclear Magnetic Shieldings and Ultraviolet Spectra for Hypothiocyanite and Its Isomers. The Molecular Structure of Hypothiocyanite
JournalJournal Of The American Chemical Society
AuthorsSundholm, DageAuthor
Year1995 (November)Volume117
Issue46
PublisherAmerican Chemical Society (ACS)
DOIdoi:10.1021/ja00151a016Search in ResearchGate
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Mindat Ref. ID1497151Long-form Identifiermindat:1:5:1497151:4
GUID0
Full ReferenceSundholm, Dage (1995) Ab Initio Study of Nuclear Magnetic Shieldings and Ultraviolet Spectra for Hypothiocyanite and Its Isomers. The Molecular Structure of Hypothiocyanite. Journal Of The American Chemical Society, 117 (46) 11523-11528 doi:10.1021/ja00151a016
Plain TextSundholm, Dage (1995) Ab Initio Study of Nuclear Magnetic Shieldings and Ultraviolet Spectra for Hypothiocyanite and Its Isomers. The Molecular Structure of Hypothiocyanite. Journal Of The American Chemical Society, 117 (46) 11523-11528 doi:10.1021/ja00151a016
In(1995, November) Journal Of The American Chemical Society Vol. 117 (46) American Chemical Society (ACS)

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SUNDHOLM, DAGE, GAUSS, JURGEN (1997) Isotope and temperature effects on nuclear magnetic shieldings and spin-rotation constants calculated at the coupled-cluster level. Molecular Physics, 92. 1007-1014 doi:10.1080/002689797169628
Hansen, Aage E., Bouman, Thomas D. (1993) Ab-Initio Calculation and Analysis of Nuclear Magnetic Shielding Tensors: the LORG and SOLO Approaches. In Nuclear Magnetic Shieldings and Molecular Structure. Springer Netherlands. p.117-140. doi:10.1007/978-94-011-1652-7_6
Sundholm, Dage, Konschin, Henrik, Häser, Marco (1999) An Ab Initio Study of Structure and Energetics of Free-Base Bonellin-Dimethylester Isomers and Transition States. Chemistry - A European Journal, 5 (1). 267-273 doi:10.1002/(sici)1521-3765(19990104)5:1<267::aid-chem267>3.0.co;2-h
Mennucci, Benedetta (2002) Hydrogen Bond versus Polar Effects:  An Ab Initio Analysis on n → π* Absorption Spectra and N Nuclear Shieldings of Diazines in Solution. Journal Of The American Chemical Society, 124 (7) 1506-1515 doi:10.1021/ja0118542
Lohr, Lawrence L., Sundholm, Dage (1997) An ab initio characterization of diphosphorus trisulfide, P2S3. Journal of Molecular Structure, 413. 495-500 doi:10.1016/s0022-2860(97)00142-7
Yamakawa, Masashi, Noyori, Ryoji (1995) An Ab Initio Molecular Orbital Study on the Amino Alcohol-Promoted Reaction of Dialkylzincs and Aldehydes. Journal Of The American Chemical Society, 117 (23) 6327-6335 doi:10.1021/ja00128a023
Jinger, Rahul Kumar, Fliegl, Heike, Bast, Radovan, Dimitrova, Maria, Lehtola, Susi, Sundholm, Dage (2021) Spatial Contributions to Nuclear Magnetic Shieldings. The Journal of Physical Chemistry A, 125 (8) 1778-1786 doi:10.1021/acs.jpca.0c10884
Fukui, H., Baba, T. (2002) Calculation of nuclear magnetic shieldings. XV. Ab initio zeroth-order regular approximation method. The Journal of Chemical Physics, 117 (17). 7836-7844 doi:10.1063/1.1510118
Wang, Xuefeng, Zheng, Qike, Fan, Kangnian (1997) Ab initio study on the structure and vibrational spectra of dinitrogen trioxide and its isomers. Journal of Molecular Structure, 403 (3) 245-251 doi:10.1016/s0022-2860(96)09353-2
Rosenberg, Robert E. (1995) Hydride Affinities of Carbonyl Compounds. An ab Initio Study. Journal Of The American Chemical Society, 117 (41) 10358-10364 doi:10.1021/ja00146a021
Barfield, Michael (1993) Ab Initio IGLO Studies of the Conformational Dependence of the γ-Effect in the 13C NMR Spectra of Cyclic Hydrocarbons. In Nuclear Magnetic Shieldings and Molecular Structure. Springer Netherlands. p.523-537. doi:10.1007/978-94-011-1652-7_27
 
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