Search Results - "Hamilton, Ian P"

Stabilization of Columnar Liquid Crystal Phases via Arene-Perfluoroarene Interactions by Yardley, Rebecca E, Paquette, Joseph A, Taing, Hi, Gaebler, Heather M, Eichhorn, S. Holger, Hamilton, Ian P, Maly, Kenneth E

“…We report the synthesis of novel polycatenar dibenzo­pentacene­quinones 1 and 2 that are designed to form columnar liquid crystalline phases. The mesomorphic…”
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Emergence of a Low-Energy Peak in the Smoothed Absolute Value Circular Dichroism Spectra of Small Helical Gold Nanorods by Hodgins, Harold P., Foley, Jonathan J., Govorov, Alexander O., Gray, Stephen K., Hamilton, Ian P.

“…We calculate, using time-dependent density functional theory, absorption and circular dichroism (CD) spectra for a series of small helical gold nanorod…”
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Bonding and metastability for Group 12 dications by Sadjadi, SeyedAbdolreza, Matta, Chérif F., Hamilton, Ian P.

“…Electronic structure and bonding properties of the Group 12 dications M22+ (M = Zn, Cd, Hg) are investigated and electron density‐derived quantities are used…”
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Triskelion Structured Colloidal Quantum Dots by Edwards, Richard D, Hodgins, Harold P, Hamilton, Ian P

“…We show, using density functional theory and ab initio molecular dynamics, that certain small colloidal quantum dots with a mixed nanocrystal core capped with…”
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Au21 cage structures and their magic number tri‐cations by Ehlert, Christopher, Liu, Xiaojing J., Hamilton, Ian P.

“…We examine the stability and properties of three Au21 cage structures, one with D3 symmetry and denoted as Au21 (D3), which is novel, and the other two with…”
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Density Functional Theory Calculations on the Complexation of p‑Arsanilic Acid with Hydrated Iron Oxide Clusters: Structures, Reaction Energies, and Transition States by Adamescu, Adrian, Hamilton, Ian P, Al-Abadleh, Hind A

“…Aromatic organoarsenicals, such as p-arsanilic acid (pAsA), are still used today as feed additives in the poultry and swine industries in developing countries…”
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Helical Gold Nanorods as Chiral Recognition Nanostructures: A Relativistic Density Functional Theory Study by Liu, Xiaojing, Hamilton, Ian P

“…We establish helical gold nanorods as the first examples of chiral recognition nanostructures by examining the simple chiral molecule CClHDT adsorbed on the…”
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(Meta-)stability and Core–Shell Dynamics of Gold Nanoclusters at Finite Temperature by Guedes-Sobrinho, Diego, Wang, Weiqi, Hamilton, Ian P, Da Silva, Juarez L. F, Ghiringhelli, Luca M

“…Gold nanoclusters have been the focus of numerous computational studies, but an atomistic understanding of their structural and dynamical properties at finite…”
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Iron doped gold cluster nanomagnets: ab initio determination of barriers for demagnetization by Ehlert, Christopher, Hamilton, Ian P

“…Magnetic properties of small- and nano-sized iron doped gold clusters are calculated at the level of second order multireference perturbation theory. We first…”
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Formation of chlorinated species through reaction of SO₂ with NaClO₂ powder and their role in the oxidation of NO and Hg by Byun, Youngchul, Hamilton, Ian P, Tu, Xin, Shin, Dong Nam

“…This study examines gaseous chlorinated species generated from the reaction of sulfur dioxide (SO₂) with sodium chlorite powder (NaClO₂(s)) to obtain insight…”
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Formation of chlorinated species through reaction of SO2 with NaClO2 powder and their role in the oxidation of NO and Hg0 by Byun, Youngchul, Hamilton, Ian P., Tu, Xin, Shin, Dong Nam

“…This study examines gaseous chlorinated species generated from the reaction of sulfur dioxide (SO 2 ) with sodium chlorite powder (NaClO 2(s) ) to obtain…”
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Investigations of Strong Hydrogen Bonding in (ROH) n ···FHF− (n = 1, 2 and R = H, CH3, C2H5) Clusters via High-Pressure Mass Spectrometry and Quantum Calculations by Nieckarz, Robert J, Oldridge, Nathan, Fridgen, Travis D, Li, Guanping P, Hamilton, Ian P, McMahon, Terry B

“…An examination of strong hydrogen bonds found in (ROH) n ···FHF− clusters (n = 1 and 2; R = H, CH3, C2H5) is presented. Excellent agreement is observed between…”
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Au 21 cage structures and their magic number tri‐cations by Ehlert, Christopher, Liu, Xiaojing J., Hamilton, Ian P.

“…Abstract We examine the stability and properties of three Au 21 cage structures, one with D 3 symmetry and denoted as Au 21 (D 3 ), which is novel, and the…”
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Density functional theory calculations on the adsorption of monomethylarsonic acid onto hydrated iron (oxyhydr)oxide clusters by Adamescu, Adrian, Hamilton, Ian P., Al-Abadleh, Hind A.

“…[Display omitted] •Complexation of monomethylarsonic acid (MMA) to iron (oxyhydr)oxide clusters is investigated.•Monodentate complexes are most favourable…”
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Formation of chlorinated species through reaction of SO sub(2) with NaClO sub(2) powder and their role in the oxidation of NO and Hg super(0) by Byun, Youngchul, Hamilton, Ian P, Tu, Xin, Shin, Dong Nam

“…This study examines gaseous chlorinated species generated from the reaction of sulfur dioxide (SO sub(2)) with sodium chlorite powder (NaClO sub(2(s))) to…”
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Formation of chlorinated species through reaction of SO₂ with NaClO ₂ powder and their role in the oxidation of NO and Hg by Byun, Youngchul, Hamilton, Ian P, Tu, Xin, Shin, Dong Nam

“…This study examines gaseous chlorinated species generated from the reaction of sulfur dioxide (SO₂) with sodium chlorite powder (NaClO₂₍ₛ₎) to obtain insight…”
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Pulsed corona discharge for oxidation of gaseous elemental mercury by Ko, Kyung Bo, Byun, Youngchul, Cho, Moohyun, Namkung, Won, Hamilton, Ian P., Shin, Dong Nam, Koh, Dong Jun, Kim, Kyoung Tae

“…Positive pulsed corona discharge has been applied for the oxidation of gaseous elemental mercury ( Hg 0 ) from a simulated flue gas. The oxidation of Hg 0 to…”
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Mathematical and computational methods with applications in chemistry and physics by Alonso, Pedro, Hamilton, Ian P., Vigo-Aguiar, J.

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Investigations of strong hydrogen bonding in (ROH)n...FHF- (n = 1, 2 and R = H, CH3, C2H5) clusters via high-pressure mass spectrometry and quantum calculations by Nieckarz, Robert J, Oldridge, Nathan, Fridgen, Travis D, Li, Guanping P, Hamilton, Ian P, McMahon, Terry B

“…An examination of strong hydrogen bonds found in (ROH)(n)...FHF(-) clusters (n = 1 and 2; R = H, CH(3), C(2)H(5)) is presented. Excellent agreement is observed…”
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Variational approach to dequantization by Mosna, Ricardo A, Hamilton, Ian P, Site, Luigi Delle

“…J. Phys. A 39, L229-L235 (2006) We present a dequantization procedure based on a variational approach whereby quantum fluctuations latent in the quantum…”
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