Search Results - "Fowler, Joseph E"

Electronic Excitation Energies of ZniOi Clusters by MATXAIN, Jon M., MERCERO, Jose M., FOWLER, Joseph E., UGALDE, Jesus M.

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Detailed Study of the Water Trimer Potential Energy Surface by Fowler, Joseph E, Schaefer, Henry F. III

“…The potential energy surface of the water trimer has been studied through the use of ab initio quantum mechanical methods. Five stationary points were located,…”
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Reactivity of Cr+(6S,4D), Mn+(7S,5S), and Fe+(6D,4F): Reaction of Cr+, Mn+, and Fe+ with Water by Irigoras, Arantxa, Fowler, Joseph E, Ugalde, Jesus M

“…The study of the reaction of water with the first-row transition-metal ions is continued in this work. Here we report the study of the reaction of water with…”
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The Curiously Stable Cluster and its Neutral and Anionic Counterparts:  The Advantages of Planarity by Fowler, Joseph E, Ugalde, Jesus M

“…The cationic, neutral, and anionic charge states of the B13 cluster are examined through the use of density functional theory. Several different isomers are…”
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Reactivity of Co+(3F,5F), Ni+(2D,4F), and Cu+(1S,3D): Reaction of Co+, Ni+, and Cu+ with Water by Irigoras, Arantxa, Elizalde, Oihana, Silanes, Iñaki, Fowler, Joseph E, Ugalde, Jesus M

“…In this paper we conclude the study of the reaction of water with the first row transition metal ions. We report the study of the reaction of water with the…”
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Proposed Intermediates in the Tautomerization of Benzofurazan 1-Oxide by Ponder, Morgan, Fowler, Joseph E, Schaefer, Henry F

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The tetramethyl chalcogens (Me4S, Me4Se, Me4Te): bonding and structure by Fowler, Joseph E, Schaefer, Henry F

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On the Reactivity of Ti+(4F,2F). Reaction of Ti+ with OH2 by Irigoras, Arantxa, Fowler, Joseph E, Ugalde, Jesus M

“…The reaction of Ti+(4F,2F) + OH2 has been studied in detail for both doublet and quartet spin states. The only exothermic products are TiO+(2Δ) and H2;…”
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Clusters of II−VI Materials:  Cd i X i , X = S, Se, Te, i ≤ 16 by Matxain, Jon M, Mercero, Jose M, Fowler, Joseph E, Ugalde, Jesus M

“…Several structures of small Cd i X i clusters, i ≤ 16, have been characterized. Ringlike structures have been found to be the lowest lying structures for i ≤ 5…”
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Clusters of Group II−VI Materials:  Cd i O i (i ≤ 15) by Matxain, Jon M, Mercero, Jose M, Fowler, Joseph E, Ugalde, Jesus M

“…In this work, the ground states of Cd i O i clusters (i = 1−9, 12, 15) are studied. Ringlike structures have been found to be the global minima for clusters as…”
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Electronic Excitation Energies of Zn i O i Clusters by Matxain, Jon M, Mercero, Jose M, Fowler, Joseph E, Ugalde, Jesus M

“…Time-dependent density-functional theory (TDDFT) is used to study the excitation energies of the global minima of small Zn i O i clusters, i = 1−15. The…”
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Aluminum(III) Interactions with the Acid Derivative Amino Acid Chains by Mercero, Jose M, Fowler, Joseph E, Ugalde, Jesus M

“…Aluminum(III) and magnesium(II) interactions with the asparagine and glutamine amino acid chains are studied by the density functional approach. Bader analysis…”
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Aluminum (III) Interactions with Sulfur-Containing Amino Acid Chains by Mercero, Jose M, Irigoras, Arantxa, Lopez, Xabier, Fowler, Joseph E, Ugalde, Jesus M

“…In this paper, we have extended our studies concerning aluminum (III) and amino acid chain interactions. We focus on the sulfur containing amino acid chains of…”
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Aluminum(III) Interactions with the Acidic Amino Acid Chains by Mercero, Jose M, Fowler, Joseph E, Ugalde, Jesus M

“…We have performed an ab initio study of aluminum(III) cation with the aspartic and glutamic amino acid residues, i.e., the carboxylate group. Density…”
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Primary Reaction of the Titanium-Catalyzed Oligomerization of Phosphorus in the Gas Phase by Irigoras, Arantxa, Fowler, Joseph E, Ugalde, Jesus M

“…The primary reaction of titanium-catalyzed oligomerization of phosphorus using methylphosphine as a reagent has been studied with a highly accurate quantum…”
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Substituted Oxirenes (X2C2O, X = BH2, CH3, NH2, OH, F): Can They Be Made? by Fowler, Joseph E, Galbraith, John Morrison, Vacek, George, Schaefer, Henry F

“…The oxirene system has received much attention recently; most theoretical studies have concentrated on the unsubstituted molecule while most experimentation…”
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Ab-Initio Studies of Alternant X2Y2 Rings (X = N, P, As, and Sb and Y = O, S, Se, and Te). Planar versus Butterfly Structures by Mercero, Jose M, Lopez, Xabier, Fowler, Joseph E, Ugalde, Jesus M

“…Alternant X2Y2 (X = N, P, As, and Sb and, Y = O, S, Se, and Te) cyclic planar and butterfly like isomers have been studied at the complete-active-space…”
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Molecular and Electronic Structures of (TiXH6)0/-, X = B, Al, Ga, Compounds by García, América, Mercero, Jose M, Fowler, Joseph E, Ugalde, Jesus M

“…The molecular and electronic structures of the isomers of both neutral and negative (TiXH6)0/-, X = B, Al, Ga, systems have been studied. For each of the…”
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Innovations in natural ingredients and their use in skin care by Fowler, Jr, Joseph F, Woolery-Lloyd, Heather, Waldorf, Heidi, Saini, Ritu

“…Natural ingredients have been used traditionally for millennia and their application in topical creams, lotions and preparations within the traditional…”
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On the Reactivity of Ti+(4F,2F):  Reaction of Ti+ with OH2 by Irigoras, Arantxa, Fowler, Joseph E, Ugalde, Jesus M

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