Electronic Structures and Energetics of [5,5] and [9,0] Single-Walled Carbon Nanotubes
Cioslowski, Jerzy, Rao, Niny, Moncrieff, David
Published in Journal of the American Chemical Society (17.07.2002)
Published in Journal of the American Chemical Society (17.07.2002)
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Journal Article
The structure and CC vibrational frequencies of the all-trans polyenes C2nH2n+2(n = 2 − 15), C2nH2n(Me)2(n = 2 – 13), and C2nH2n(tert-Butyl)2(n = 2 – 5): Computational results
De Maré, George R., Rao, Niny Z., Bock, Charles W.
Published in Chemical Data Collections (01.12.2017)
Published in Chemical Data Collections (01.12.2017)
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Journal Article
The structure and C C vibrational frequencies of the all- trans polyenes C 2 n H 2 n +2 ( n = 2 − 15), C 2 n H 2 n (Me) 2 ( n = 2 – 13), and C 2 n H 2 n ( tert -Butyl) 2 ( n = 2 – 5): Computational results
De Maré, George R., Rao, Niny Z., Bock, Charles W.
Published in Chemical Data Collections (01.12.2017)
Published in Chemical Data Collections (01.12.2017)
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Journal Article
Standard Enthalpies of Formation of Fullerenes and Their Dependence on Structural Motifs
Cioslowski, Jerzy, Rao, Niny, Moncrieff, David
Published in Journal of the American Chemical Society (30.08.2000)
Published in Journal of the American Chemical Society (30.08.2000)
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Journal Article
Computational Study of the Small Zr(IV) Polynuclear Species
Rao, Niny, Holerca, Marian N, Pophristic, Vojislava
Published in Journal of chemical theory and computation (01.01.2008)
Published in Journal of chemical theory and computation (01.01.2008)
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Journal Article
Computational Study of the Zr 4+ Tetranuclear Polymer, [Zr 4 (OH) 8 (H 2 O) 16 ] 8
Rao, Niny, Holerca, Marian N., Klein, Michael L., Pophristic, Vojislava
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (01.11.2007)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (01.11.2007)
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Journal Article
Computational Study of the Zr4+ Tetranuclear Polymer, [Zr4(OH)8(H2O)16]8
Rao, Niny, Holerca, Marian N, Klein, Michael L, Pophristic, Vojislava
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (15.11.2007)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (15.11.2007)
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