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Benassi, Rois, Taddei, Ferdinando (1994) Thermochemical properties and homolytic bond cleavage of organic peroxyacids and peroxyesters: an empirical approach based on ab initio MO Calculations. Journal of Molecular Structure: THEOCHEM, 303. 101-117 doi:10.1016/0166-1280(94)80177-0

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Reference TypeJournal (article/letter/editorial)
TitleThermochemical properties and homolytic bond cleavage of organic peroxyacids and peroxyesters: an empirical approach based on ab initio MO Calculations
JournalJournal of Molecular Structure: THEOCHEM
AuthorsBenassi, RoisAuthor
Taddei, FerdinandoAuthor
Year1994 (January)Volume303
PublisherElsevier BV
DOIdoi:10.1016/0166-1280(94)80177-0Search in ResearchGate
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Mindat Ref. ID8782859Long-form Identifiermindat:1:5:8782859:9
GUID0
Full ReferenceBenassi, Rois, Taddei, Ferdinando (1994) Thermochemical properties and homolytic bond cleavage of organic peroxyacids and peroxyesters: an empirical approach based on ab initio MO Calculations. Journal of Molecular Structure: THEOCHEM, 303. 101-117 doi:10.1016/0166-1280(94)80177-0
Plain TextBenassi, Rois, Taddei, Ferdinando (1994) Thermochemical properties and homolytic bond cleavage of organic peroxyacids and peroxyesters: an empirical approach based on ab initio MO Calculations. Journal of Molecular Structure: THEOCHEM, 303. 101-117 doi:10.1016/0166-1280(94)80177-0
In(n.d.) Journal of Molecular Structure: THEOCHEM Vol. 303. Elsevier BV

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Benassi, Rois, Taddei, Ferdinando (1994) Conformational properties of peroxyacids, peroxyesters and of structurally related radicals: a theoretical ab initio MO approach. Journal of Molecular Structure: THEOCHEM, 303. 83-100 doi:10.1016/0166-1280(94)80176-2
Benassi, Rois, Folli, Ugo, Sbardellati, Silvia, Taddei, Ferdinando (1993) Conformational properties and homolytic bond cleavage of organic peroxides. I. An empirical approach based upon molecular mechanics andab initio calculations. Journal of Computational Chemistry, 14 (4). 379-391 doi:10.1002/jcc.540140402
Benassi, Rois, Taddei, Ferdinando (2001) Ground-state molecular stabilization of substituted ethylenes. A theoretical mo ab-initio thermochemical study. Journal of Molecular Structure: THEOCHEM, 572. 169-183 doi:10.1016/s0166-1280(01)00625-x
Benassi, Rois, Luca Fiandri, G., Taddei, Ferdinando (1993) Influence of sulphur oxidation on the conformational and molecular stability of dimethyl disulphide: a theoretical ab initio MO approach. Journal of Molecular Structure: THEOCHEM, 279. 239-248 doi:10.1016/0166-1280(93)90072-j
Benassi, R., Fiandri, G.L., Taddei, F. (1997) A theoretical MO ab initio approach to the conformational properties and homolytic bond cleavage in aryl disulphides. Journal of Molecular Structure: THEOCHEM, 418. 127-138 doi:10.1016/s0166-1280(96)05015-4
Benassi, Rois, Taddei, Ferdinando (1990) Cyclic and open-chain carbonium ion intermediates in nucleophilic halogen displacement: 2-chloroethanol, 2-chloroethanethilol and their 1,3-propane homologues. A theoretical ab-initio mo approach. Journal of Molecular Structure: THEOCHEM, 205. 177-190 doi:10.1016/0166-1280(90)85118-7
Benassi, Rois, Bertarini, Claudio, Taddei, Ferdinando (1995) Internal rotation in α-chlorinated toluenes: A theoretical MO ab initio study of the rotational barriers and ground-state conformations. Journal of Molecular Structure: THEOCHEM, 339. 103-113 doi:10.1016/0166-1280(95)04193-a
Benassi, Rois, Bertarini, Claudio, Taddei, Ferdinando (1997) Ab initio MO study of the internal rotation process in α-chlorinated picolines. Journal of Molecular Structure: THEOCHEM, 389. 105-116 doi:10.1016/s0166-1280(96)04646-5
Benassi, Rois, Taddei, Ferdinando, Nardelli, Mario (1988) Theoretical investigations of the structural and chemical properties of hydrazinecarboxamide and hydrazinecarbothioamide. Journal of Molecular Structure: THEOCHEM, 164. 275-288 doi:10.1016/0166-1280(88)80148-9
Benassi, Rois, Folli, Ugo, Mucci, Adele, Schenetti, Luisa, Taddei, Ferdinando (1991) Conformational preference of the methylsulphinyl group bonded to the furan and thiophene rings: A theoretical approach. Journal of Molecular Structure: THEOCHEM, 228. 71-85 doi:10.1016/0166-1280(91)90046-m
Barbieri, Giorgio, Benassi, Rois, Taddei, Ferdinando (1989) Theoretical investigation of the conformational behaviour of the formyl group in oxazole- and thiazole-2-carbaldehyde. Journal of Molecular Structure: THEOCHEM, 184. 269-276 doi:10.1016/0166-1280(89)85096-1
 
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