List
of Publications (76-100)
PUBLICATIONS: (1-25) (26-50)
(51-75) (101-125)
(76) Ou, Z.; Shao, J.; Zhao, H.;
Ohkubo,
K.; Wasbotten, I. H.; Fukuzumi, S.; Ghosh, A.; Kadish, K. M.
"Spectroelectrochemical and ESR Studies of Copper Meso-triarylcorroles,"Journal of Porphyrins and Phthalocyanines 2004, 8, 1236-1247.
(77) Ghosh, A. "Heme-diatomic interactions:
across time, taxa, and disciplines," (preface to a special
issue, January, 2005), Journal of Inorganic
Biochemistry 2005, 99, vi-viii.
(78) Tangen,
E.; Conradie, J.; Svadberg,
A.; Ghosh, A. "Understanding the Unexpected Linearity of the
trans-{Mn(NO)2}8
Unit in a Phthalocyanine
Complex. Some Thoughts on Dinitrosylheme Intermediates in
Biology," Journal of Inorganic
Biochemistry 2005, 99, 55-59.
(79)
Shao, J.; Steene, E.;
Hoffman, B. M.; Ghosh, A.
"EPR, ENDOR, and DFT studies on (beta-octahalo-meso-tetraarylporphyrin)copper
complexes: Characterization of the Metal(dx2-y2)-Porphyrin(a2u)
Orbital Interaction." European Journal of
Inorganic Chemistry, 2005,
1609-1615.
(80) Ghosh, A. "Heme-diatomic
interactions:
across time, taxa, and disciplines," (preface to a special
issue, April, 2005), Journal of Inorganic
Biochemistry 2005, 99, 891-891.
(81) Tangen, E.; Ghosh, A.
"Electronic
Structure
of Cis-Mo(P)(NO)2,
Where P is a Porphyrin: An Organometallic Perspective of
Metalloporphyrin-NO Complexes,"
Journal
of Inorganic
Biochemistry 2005, 99, 959-962.
Right:
Schematic
and computer-generated representations of key Mo(d)-NO(p*)-based MOs of
cis-Mo(P)(NO)2. The
porphyrin a1u
and a2u HOMOs correspond to HOMO-3
and HOMO-4, whereas the porphyrin eg LUMOs correspond the
LUMO and
LUMO+1.
(82) Ghosh, A.; Taylor, P. R. "Iron(IV) Porphyrin Difluoride Does Not
Exist: Implications for DFT Calculations on Heme Protein
Reaction Pathways," Journal of
Chemical Theory and Computation 2005,
1, 597-600. A
most-accessed article in Journal of
Chemical Theory and Computation
(83) Tangen, E.; Svadberg, A.; Ghosh, A. "Toward
Modeling H-NOX Domains: A DFT Study of Heme-NO Complexes as Hydrogen
Bond Acceptors," Inorganic Chemistry 2005, 44, 7802-7805.
(84) Ghosh,
A.; Wasbotten, I. H.; Davis, W.; Swarts, J. C.
"Norcorrole and Dihydronorcorrole: A Predictive Quantum Chemical
Study," European Journal of Inorganic
Chemistry 2005, 4479-4485.
(85) Wasbotten, A.; Ghosh, A. "Modeling Side-on NO Coordination to Type
2 Copper in Nitrite Reductase: Structures, Energetics, and Bonding," J. Am. Chem. Soc. 2005, 127, 15384-15385.
(86) Tangen, E.; Conradie, J.; Ghosh, A. "The Challenge of Being
Straight: Explaining the Linearity of a Low-Spin {FeNO}7
Unit in a Tropocoronand Complex," Inorganic Chemistry 2005, 44, 8699-8706.
(87) Ghosh,
A. "Metalloporphyrin-NO
Bonding: Building Bridges with Organometallic Chemistry," Accounts
of Chemical Research 2005, 38,
943-954. A most-accessed article in Accounts of Chemical Research
(88)
Ghosh, A. "High-valent iron
intermediates in biology," (preface to a special
issue, April,
2006)
Journal of Inorganic
Biochemistry 2006, 100, 419-420.
(89) Conradie,
J.; Tangen, E.; Ghosh,
A. "Trigonal bipyramidal iron(III) and manganese(III) oxo, sulfido, and
selenido complexes. An electronic-structural overview," Journal
of Inorganic Biochemistry 2006, 100, 707-715.
(90) Conradie,
J.; Wasbotten, I. H.; Ghosh,
A. "Electronic ménages a trois: A molecular orbital perspective
of protonated ferryl intermediates and synthetic models," Journal
of Inorganic Biochemistry 2006, 100, 502-506.
(91) Conradie,
M. M.; Conradie, J.; Ghosh,
A. "A DFT overview of high-valent iron, cobalt and nickel
tetraamidomacrocylic ligand (TAML) complexes: The end of innocence?" Journal
of Inorganic Biochemistry 2006, 100, 620-626.
(92) Conradie, J.; Ghosh,
A. "Iron(III)-Nitro
Porphyrins: A
Theoretical Exploration of a Unique Class of Reactive Molecules," Inorganic
Chemistry
2006,
45,
4902-4909.
(93) Wasbotten, I.; Ghosh, A. "Theoretical Evidence Favoring True
Iron(V)-Oxo Corrole and Corrolazine Intermediates," Inorganic Chemistry 2006, 45, 4910-4913.
(94) Wasbotten, I.; Ghosh, A.
"Biliverdine-based metalloradicals: Sterically enhanced noninnocence," Inorganic Chemistry
2006, 45, 4914-4921.
(95) Ghosh, A. "Just how good is DFT?" Journal of Biological Inorganic Chemistry
2006, 11, 671-673.
(96) Ghosh, A. "Transition metal spin
state energetics and noninnocent systems: challenges for DFT in the
bioinorganic arena," Journal of
Biological Inorganic Chemistry, 2006,
11, 671-673.
(97) Conradie, J.; Ghosh, A. "When being straight bends rules: A rationale for the linear FeNO unit in the
low-spin square-pyramidal {FeNO}7
tetracyanonitrosylferrate(2−) anion," Journal
of Inorganic Biochemistry 2006, 100, 2069-2073.
(98) Tangen, E.; Conradie, J.; Ghosh, A. "Bonding in
Low-Coordinate Environments: Electronic Structure of Pseudotetrahedral
Iron-Imido Complexes,"Journal of Chemical Theory and Computation 2007, 3, 448-457.
(99) Conradie, J.; Ghosh, A. "Electronic Structure of Trigonal-Planar
Transition-Metal–Imido Complexes: Spin-State Energetics, Spin-Density
Profiles, and the Remarkable Performance of the OLYP Functional," Journal of Chemical Theory and Computation 2007, 3,
689-702.
(100) Conradie, J.; Quarless, D. A.; Hsu, H.-F.; Harrop, T. C.;
Lippard, S. J.; Ghosh, A. "Electronic
structure and FeNO conformation of nonheme iron-thiolate-NO complexes:
A combined experimental and DFT study," Journal of The American Chemical Society
2007, 129, in press.
PUBLICATIONS:
(1-25) (26-50)
(51-75) (101-125)
(80) Ghosh, A. "Heme-diatomic
interactions:
across time, taxa, and disciplines," (preface to a special
issue, April, 2005), Journal of Inorganic
Biochemistry 2005, 99, 891-891.