B
Boggavarapu Kiran
Researcher at McNeese State University
Publications - 78
Citations - 5209
Boggavarapu Kiran is an academic researcher from McNeese State University. The author has contributed to research in topics: Density functional theory & X-ray photoelectron spectroscopy. The author has an hindex of 33, co-authored 78 publications receiving 4888 citations. Previous affiliations of Boggavarapu Kiran include Environmental Molecular Sciences Laboratory & Washington State University Tri-Cities.
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Journal ArticleDOI
Dissected Nucleus-Independent Chemical Shift Analysis of π-Aromaticity and Antiaromaticity.
Paul von Ragué Schleyer,Mariappan Manoharan,Zhi-Xiang Wang,Boggavarapu Kiran,Haijun Jiao,Ralph Puchta,Nicolaas J. R. van Eikema Hommes +6 more
TL;DR: Analysis of the basic π-aromatic (benzene) and antiaromatic systems by dissected nucleus-independent chemical shifts (NICS) shows the contrasting diatropics and paratropic effects, but also reveals subtleties and unexpected details.
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Hydrocarbon analogues of boron clusters--planarity, aromaticity and antiaromaticity.
Hua-Jin Zhai,Hua-Jin Zhai,Boggavarapu Kiran,Boggavarapu Kiran,Jun Li,Lai-Sheng Wang,Lai-Sheng Wang +6 more
TL;DR: Experimental and theoretical evidence is reported that small boron clusters prefer planar structures and exhibit aromaticity and antiaromaticity according to the Hückel rules, akin to planar hydrocarbons.
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Planar-to-tubular structural transition in boron clusters: B20 as the embryo of single-walled boron nanotubes.
Boggavarapu Kiran,Boggavarapu Kiran,Satya S. Bulusu,Hua-Jin Zhai,Hua-Jin Zhai,Soohaeng Yoo,Xiao Cheng Zeng,Lai-Sheng Wang +7 more
TL;DR: The 2D- to-3D structural transition observed at B20, reminiscent of the ring-to-fullerene transition at C20 in carbon clusters, suggests it may be considered as the embryo of the thinnest single-walled boron nanotubes.
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Experimental observation and confirmation of icosahedral W@Au12 and Mo@Au12 molecules.
TL;DR: The recently predicted W@Au12 cluster has been observed and probed experimentally using anion photoelectron spectroscopy, and it is shown that this unique molecule and its Mo congener indeed possess an icosahedral structure and a large HOMO-LUMO gap.
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Observation of d-orbital aromaticity.
Xin Huang,Xin Huang,Hua-Jin Zhai,Hua-Jin Zhai,Boggavarapu Kiran,Boggavarapu Kiran,Lai-Sheng Wang,Lai-Sheng Wang +7 more
TL;DR: While main group clusters can give rise to s- and p-aromaticity, transition-metal-containing clusters can exhibit d-orbital aromaticity or, more interestingly, d-Aromaticitydueto d bonding interactions, however, d–dbonding interactions are significantly less significant.