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Martin, Miguel, Carbo, Ramon, Petrongolo, Carlo, Tomasi, Jacopo (1975) Structure-activity relations of phenethylamine. Comparison of quantum mechanical SCF ab initio and semiempirical calculations. Journal Of The American Chemical Society, 97 (6) 1338-1347 doi:10.1021/ja00839a009

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Reference TypeJournal (article/letter/editorial)
TitleStructure-activity relations of phenethylamine. Comparison of quantum mechanical SCF ab initio and semiempirical calculations
JournalJournal Of The American Chemical Society
AuthorsMartin, MiguelAuthor
Carbo, RamonAuthor
Petrongolo, CarloAuthor
Tomasi, JacopoAuthor
Year1975 (March)Volume97
Issue6
PublisherAmerican Chemical Society (ACS)
DOIdoi:10.1021/ja00839a009Search in ResearchGate
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Mindat Ref. ID1332079Long-form Identifiermindat:1:5:1332079:5
GUID0
Full ReferenceMartin, Miguel, Carbo, Ramon, Petrongolo, Carlo, Tomasi, Jacopo (1975) Structure-activity relations of phenethylamine. Comparison of quantum mechanical SCF ab initio and semiempirical calculations. Journal Of The American Chemical Society, 97 (6) 1338-1347 doi:10.1021/ja00839a009
Plain TextMartin, Miguel, Carbo, Ramon, Petrongolo, Carlo, Tomasi, Jacopo (1975) Structure-activity relations of phenethylamine. Comparison of quantum mechanical SCF ab initio and semiempirical calculations. Journal Of The American Chemical Society, 97 (6) 1338-1347 doi:10.1021/ja00839a009
In(1975, March) Journal Of The American Chemical Society Vol. 97 (6) American Chemical Society (ACS)

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MARTIN, MIGUEL, CARBO, RAMON, PETRONGOLO, CARLO, TOMASI, JACOPO (1975) ChemInform Abstract: STRUCTURE-ACTIVITY RELATIONSHIPS OF PHENETHYLAMINE, A COMPARISON OF QUANTUM MECHANICAL SCF ′AB INITIO′ AND SEMIEMPIRICAL CALCULATIONS. Chemischer Informationsdienst, 6 (22) doi:10.1002/chin.197522108
Bonaccorsi, Rosanna, Petrongolo, Carlo, Scrocco, Eolo, Tomasi, Jacopo (1968) Double‐ζ LCAO SCF MO Calculations for NO2 and OF2. The Journal of Chemical Physics, 48 (4) 1497-1499 doi:10.1063/1.1668869
Petrongolo, Carlo, Scrocco, Eolo, Tomasi, Jacopo (1968) Minimal‐Basis‐Set LCAO–SCF–MO Calculations for the Ground State of O3, NO2–, NOF, and OF2 Molecules. The Journal of Chemical Physics, 48 (1) 407-411 doi:10.1063/1.1667936
Petrongolo, Carlo, Tomasi, Jacopo (1973) The protonation of organic molecules: electrostatic versus SCF CNDO calculations for three-membered ring molecules. Chemical Physics Letters, 20. 201-206 doi:10.1016/0009-2614(73)80231-3
Bonaccorsi, Rosanna, Petrongolo, Carlo, Scrocco, Eolo, Tomasi, Jacopo (1968) SCF Minimal Basis Set Calculations and Exclusive Orbitals for CN−, HCN, N3−, HN3, NCO−, and HNCO. The Journal of Chemical Physics, 48 (4) 1500-1508 doi:10.1063/1.1668870
Alagona, Giuliano, Scrocco, Eolo, Tomasi, Jacopo (1975) Ab initio study of the amidic bond cleavage by hydroxide(1-) ion in formamide. Journal Of The American Chemical Society, 97 (24) 6976-6983 doi:10.1021/ja00857a006
Selmi, Massimo, Tomasi, Jacopo (1995) Ab-initio calculations and semiempirical corrections to obtain enthalpies of formation of hydrocarbons through isodesmic reactions. The Journal of Physical Chemistry, 99 (16). 5894-5898 doi:10.1021/j100016a025
Williams, James E., Streitwieser, Andrew (1975) Ab initio SCF-MO calculations on carbanions. Methyl, ethyl, vinyl, and ethynyl anions. Journal Of The American Chemical Society, 97 (10) 2634-2644 doi:10.1021/ja00843a009
Streitwieser, Andrew, Williams, James E. (1975) Ab initio SCF-MO calculations of thiomethyl anion. Polarization in stabilization of carbanions. Journal Of The American Chemical Society, 97 (1) 191-192 doi:10.1021/ja00834a035
Cimiraglia, Renzo, Persico, Maurizio, Tomasi, Jacopo (1985) Ab initio study of the photodissociation of nitrosoalkanes and nitrosamines. Journal Of The American Chemical Society, 107 (6) 1617-1622 doi:10.1021/ja00292a026
Davis, Timothy D., Christoffersen, Ralph E., Maggiora, Gerald M. (1975) Ab initio calculations on large molecules using molecular fragments. Nitroxide spin label characterizations. Journal Of The American Chemical Society, 97 (6) 1347-1354 doi:10.1021/ja00839a010
 
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