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Ghosh, Abhik (1995) Substituent Effects on Valence Ionization Potentials of Free Base Porphyrins: A Local Density Functional Study. Journal Of The American Chemical Society, 117 (16) 4691-4699 doi:10.1021/ja00121a025

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Reference TypeJournal (article/letter/editorial)
TitleSubstituent Effects on Valence Ionization Potentials of Free Base Porphyrins: A Local Density Functional Study
JournalJournal Of The American Chemical Society
AuthorsGhosh, AbhikAuthor
Year1995 (April)Volume117
Issue16
PublisherAmerican Chemical Society (ACS)
DOIdoi:10.1021/ja00121a025Search in ResearchGate
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Mindat Ref. ID1489791Long-form Identifiermindat:1:5:1489791:1
GUID0
Full ReferenceGhosh, Abhik (1995) Substituent Effects on Valence Ionization Potentials of Free Base Porphyrins: A Local Density Functional Study. Journal Of The American Chemical Society, 117 (16) 4691-4699 doi:10.1021/ja00121a025
Plain TextGhosh, Abhik (1995) Substituent Effects on Valence Ionization Potentials of Free Base Porphyrins: A Local Density Functional Study. Journal Of The American Chemical Society, 117 (16) 4691-4699 doi:10.1021/ja00121a025
In(1995, April) Journal Of The American Chemical Society Vol. 117 (16) American Chemical Society (ACS)

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Ghosh, Abhik (1994) Ab Initio Hartree-Fock and Local Density Functional Calculations on Prototype Halogenated Porphyrins. Do Electrochemically Measured Substituent Effects Reflect Gas-Phase Trends?. The Journal of Physical Chemistry, 98 (43). 11004-11006 doi:10.1021/j100094a003
Ghosh, Abhik, Wondimagegn, Tebikie, Nilsen, Henning J. (1998) Molecular Structures, Tautomerism, and Carbon Nucleophilicity of Free-Base Inverted Porphyrins and Carbaporphyrins:  A Density Functional Theoretical Study. The Journal of Physical Chemistry B, 102 (50). 10459-10467 doi:10.1021/jp983010j
Ghosh, Abhik, Almlöf, Jan (1993) The ultraviolet photoelectron spectrum of free-base porphyrin revisited. The performance of local density functional theory. Chemical Physics Letters, 213. 519-521 doi:10.1016/0009-2614(93)89152-8
Ghosh, Abhik (1997) Theoretical Comparative Study of Free Base Porphyrin, Chlorin, Bacteriochlorin, and Isobacteriochlorin:  Evaluation of the Potential Roles ofab InitioHartree−Fock and Density Functional Theories in Hydroporphyrin Chemistry. The Journal of Physical Chemistry B, 101 (16). 3290-3297 doi:10.1021/jp964069y
Ghosh, Abhik, Gassman, Paul G., Almloef, Jan (1994) Substituent Effects in Porphyrazines and Phthalocyanines. Journal Of The American Chemical Society, 116 (5) 1932-1940 doi:10.1021/ja00084a038
Parusel, Andreas B. J., Ghosh, Abhik (2000) Density Functional Theory Based Configuration Interaction Calculations on the Electronic Spectra of Free-Base Porphyrin, Chlorin, Bacteriochlorin, andcis- andtrans-Isobacteriochlorin. The Journal of Physical Chemistry A, 104 (11). 2504-2507 doi:10.1021/jp9921046
Goldbeck, Robert A., Tolf, Bo Ragnar, Bunnenberg, Edward, Djerassi, Carl (1987) Substituent conformational effects in the magnetic circular dichroism and absorption spectra of free-base carbonyl porphyrins. Journal Of The American Chemical Society, 109 (1) 28-32 doi:10.1021/ja00235a004
Wu, Yun-Dong, Lai, David K. W. (1995) A Density Functional Study on the Stereocontrol of the Sharpless Epoxidation. Journal Of The American Chemical Society, 117 (45) 11327-11336 doi:10.1021/ja00150a034
Alemayehu, Abraham, Conradie, Marrigje M., Ghosh, Abhik (2012) Electronic absorption spectra of copper corroles: unexpected substituent effects in trans-meso-A2B-triarylcorrole complexes. Journal of Porphyrins and Phthalocyanines, 16. 695-704 doi:10.1142/s108842461250085x
Bühl, Michael (1997) Substituent Effects on103Rh NMR Chemical Shifts and Reactivities. A Density Functional Study. Organometallics, 16. 261-267 doi:10.1021/om960615y
Dey, Abhishek, Ghosh, Abhik (2002) “True” Iron(V) and Iron(VI) Porphyrins:  A First Theoretical Exploration. Journal Of The American Chemical Society, 124 (13) 3206-3207 doi:10.1021/ja012402s
 
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