Search Results - "Mochena, M D"

Optical Properties of (GaAs) n Clusters (n = 2−16) by Gutsev, G. L, O’Neal, Jr, R. H, Saha, B. C, Mochena, M. D, Johnson, E, Bauschlicher, Jr, C. W

“…The electronic and geometrical structures of the lowest triplet states of (GaAs) n clusters (n = 2−16) are studied using density functional theory with…”
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All-electron DFT modeling of SWCNT growth on iron catalysts from carbon monoxide feedstock by Gutsev, G L, Mochena, M D, Bauschlicher, Jr, C W

“…Electronic and geometrical structures of Fe4Cn(CO)m (n + m < or = 6) and their singly negatively and positively charged ions are computed using density…”
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Structure and Properties of Mn n , Mn n -, and Mn n + Clusters (n = 3−10) by Gutsev, G. L, Mochena, M. D, Bauschlicher, C. W

“…Electronic and geometrical structures of Mn3−Mn10 together with their singly negatively and positively charged ions are computed using density functional…”
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Oxidation of C60 Fullerite by Interstitial Oxygen by Shulga, Y. M, Martynenko, V. M, Open’ko, V. V, Kulikov, A. V, Michtchenko, A, Johnson, E, Mochena, M. D, Gutsev, G. L

“…Processes induced by the heating of C60 fullerite intercalated by oxygen are analyzed using mass-spectrometry, thermogravimetry, differential scanning…”
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Structure and Properties of Fe4 with Different Coverage by C and CO by Gutsev, G. L, Mochena, M. D, Bauschlicher, C. W

“…The electronic and geometrical structure of neutral and singly charged Fe4C2, Fe4C(CO), Fe4(CO)2, Fe4C2CO, Fe4C(CO)2, Fe4C3, and Fe4(CO)3 are studied using…”
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Dissociative and associative attachment of OH to iron clusters by Gutsev, G.L., Mochena, M.D., Bauschlicher, C.W.

“…Electronic and geometrical structures of isomers of Fe n OH, Fe n OH −, and Fe n OH + ( n = 1–4) with associative and dissociative attachment of OH are…”
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A DFT + U Study of Absorption Spectra and Localized Surface Plasmon Resonances of few electrons in Doped ZnO Quantum Dots by Dada, D, Mochena, M D

“…Quantum plasmonics of few electrons that was reported a few years ago in photodoping experiments has received little or no attention in doped nanomaterials…”
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Negatively charged GaAs clusters by Gutsev, G.L., Mochena, M.D., O’Neal, R.H., Saha, B.C.

“…Electronic and geometrical structure of (GaAs) n clusters for n = 12, 36, 48, 54, and 60 together with related clusters (BN) 12, (CdS) 12, (CdSe) 12, (CdTe)…”
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Structure and Properties of Fe 4 with Different Coverage by C and CO by Gutsev, G. L., Mochena, M. D., Bauschlicher, C. W.

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Oxidation of C 60 Fullerite by Interstitial Oxygen by Shulga, Y. M., Martynenko, V. M., Open’ko, V. V., Kulikov, A. V., Michtchenko, A., Johnson, E., Mochena, M. D., Gutsev, G. L.

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Structure and Properties of Mnn, Mnn-, and Mnn+ Clusters (n = 3−10) by GUTSEV, G. L., MOCHENA, M. D., BAUSCHLICHER, C. W.

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Interaction of water with small Fen clusters by Gutsev, G.L., Mochena, M.D., Bauschlicher, C.W.

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Structure and properties of Mn(n), Mn(n)-, and Mn(n)+ clusters (n = 3-10) by Gutsev, G L, Mochena, M D, Bauschlicher, Jr, C W

“…Electronic and geometrical structures of Mn(3)-Mn(10) together with their singly negatively and positively charged ions are computed using density functional…”
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Interaction of water with small Fe n clusters by Gutsev, G.L., Mochena, M.D., Bauschlicher, C.W.

“…The electronic and geometrical structures of clusters formed by a single water molecule and small iron clusters Fe n , Fe n - , and Fe n + , for n = 1–4, are…”
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Toward Understanding the Electron Density Distribution in Magnetic Clusters:  Insight from the ELF and AIM Analyses of Ground-State Fe4 by Berski, Slawomir, Gutsev, Gennady L, Mochena, Mogus D, Andrés, Juan

“…Topological analysis of the electron localization function (ELF) in the ground-state Fe4 cluster reveals different regions of valence electron localization in…”
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