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Somogyi, Árpád, Wysocki, Vicki H., Mayer, István (1994) The effect of protonation site on bond strengths in simple peptides: Application of Ab initio and modified neglect of differential overlap bond orders and modified neglect of differential overlap energy partitioning. Journal of the American Society for Mass Spectrometry, 5 (8). 704-717 doi:10.1016/1044-0305(94)80002-2

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Reference TypeJournal (article/letter/editorial)
TitleThe effect of protonation site on bond strengths in simple peptides: Application of Ab initio and modified neglect of differential overlap bond orders and modified neglect of differential overlap energy partitioning
JournalJournal of the American Society for Mass Spectrometry
AuthorsSomogyi, ÁrpádAuthor
Wysocki, Vicki H.Author
Mayer, IstvánAuthor
Year1994 (August)Volume5
Issue8
PublisherAmerican Chemical Society (ACS)
DOIdoi:10.1016/1044-0305(94)80002-2Search in ResearchGate
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Mindat Ref. ID5346977Long-form Identifiermindat:1:5:5346977:1
GUID0
Full ReferenceSomogyi, Árpád, Wysocki, Vicki H., Mayer, István (1994) The effect of protonation site on bond strengths in simple peptides: Application of Ab initio and modified neglect of differential overlap bond orders and modified neglect of differential overlap energy partitioning. Journal of the American Society for Mass Spectrometry, 5 (8). 704-717 doi:10.1016/1044-0305(94)80002-2
Plain TextSomogyi, Árpád, Wysocki, Vicki H., Mayer, István (1994) The effect of protonation site on bond strengths in simple peptides: Application of Ab initio and modified neglect of differential overlap bond orders and modified neglect of differential overlap energy partitioning. Journal of the American Society for Mass Spectrometry, 5 (8). 704-717 doi:10.1016/1044-0305(94)80002-2
In(1994, August) Journal of the American Society for Mass Spectrometry Vol. 5 (8) American Chemical Society (ACS)

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Jordan, Frank., Sostman, H. Dirk. (1973) Molecular orbital (CNDO[complete neglect of differential overlap]2 and MINDO [modified intermediate neglect of differential overlap] calculations on protonated deoxyribonucleic acid bases. Effects of base protonation on intermolecular interactions) Journal Of The American Chemical Society, 95 (20) 6544-6554 doi:10.1021/ja00801a004
Bingham, Richard C., Dewar, Michael J. S. (1972) Ground states of molecules. XXII. Incorporation of partial configuration interaction in MINDO [modified intermediate neglect of differential overlap]/2 and its application to bond dissociation energies and sigmatropic rearrangements. Journal Of The American Chemical Society, 94 (26) 9107-9112 doi:10.1021/ja00781a020
Davidson, Robert B., Jorgensen, William L., Allen, Leland Cullen. (1970) Structural and energetic predictions for simple hydrocarbons from the NDDO [neglect of diatomic differential overlap] and CNDO [complete neglect of differential overlap] semiempirical molecular orbital methods. Journal Of The American Chemical Society, 92 (4) 749-753 doi:10.1021/ja00707a001
Komáromi, István, Somogyi, Árpád, Wysocki, Vicki H. (2005) Proton migration and its effect on the MS fragmentation of N-acetyl OMe proline: MS/MS experiments and ab initio and density functional calculations. International Journal of Mass Spectrometry, 241 (2). 315-323 doi:10.1016/j.ijms.2004.12.033
Dewar, Michael J. S., Lo, Donald H. (1971) Ground states of .sigma.-bonded molecules. XIV. Application of energy partitioning to the MINDO [modified intermediate neglect of differential overlap] /2 method and a study of the Cope rearrangement. Journal Of The American Chemical Society, 93 (26) 7201-7207 doi:10.1021/ja00755a014
van der Lugt, W.Th.A.M., Oosterhoff, L.J. (1970) Valence bond theory and the neglect of differential overlap. Molecular Physics, 18. 177-190 doi:10.1080/00268977000100191
Stevenson, Philip E., Burkey, David L. (1974) Neglect of differential overlap in calculations of barriers to inversion and an extension of INDO [intermediate neglect of differential overlap] to calculations involving second row atoms. Journal Of The American Chemical Society, 96 (10) 3061-3064 doi:10.1021/ja00817a007
Van-Catledge, F. A. (1974) Comparison of approximate INDO [intermediate neglect of differential overlap] and ab initio wave functions. The Journal of Physical Chemistry, 78 (8). 763-769 doi:10.1021/j100601a001
Bodor, N., Dewar, Michael J. S., Lo, Donald H. (1972) Ground states of .sigma.-bonded molecules. XVIII. Improved version of MINDO [modified intermediate neglect differential overlap]/2 and its application to carbonium ions and protonated cyclopropanes. Journal Of The American Chemical Society, 94 (15) 5303-5310 doi:10.1021/ja00770a027
Bodor, Nicolae, Dewar, Michael J. S. (1972) Ground states of molecules. XX. MINDO [modified intermediate neglect of differential overlap]/2 study of some carbenes and their intramolecular rearrangements. Journal Of The American Chemical Society, 94 (26) 9103-9106 doi:10.1021/ja00781a019
Dewar, Michael J. S., Shanshal, M. (1969) Inversion barriers by the MINDO [modified intermediate neglect of differential overlap] method. Journal Of The American Chemical Society, 91 (13) 3654-3655 doi:10.1021/ja01041a043
 
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