Search Results - "Nguyen, Minh Tho"

Origin of the bright photoluminescence of few-atom silver clusters confined in LTA zeolites by Grandjean, Didier, Coutiño-Gonzalez, Eduardo, Cuong, Ngo Tuan, Fron, Eduard, Baekelant, Wouter, Aghakhani, Saleh, Schlexer, Philomena, D'Acapito, Francesco, Banerjee, Dipanjan, Roeffaers, Maarten B J, Nguyen, Minh Tho, Hofkens, Johan, Lievens, Peter

“…Silver (Ag) clusters confined in matrices possess remarkable luminescence properties, but little is known about their structural and electronic properties. We…”
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Lithium Hexastannate: A Potential Material for Energy Storage by Zulueta, Yohandys A., Nguyen, Minh Tho

“…The prediction of a new lithium compound, Li2Sn6O13, is made from a combined first‐principles and classical force‐field approach. The electronic, structural,…”
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Effects of Electric Field on the Performance of Graphene-Based Counter Electrodes for Dye-Sensitized Solar Cells: A Theoretical Study by Lin, Kuan-Yu, Nachimuthu, Santhanamoorthi, Nguyen, Minh Tho, Mizuta, Hiroshi, Jiang, Jyh-Chiang

“…We have investigated the influence of an external electric field on the performance of graphene-based counter electrode (CE) materials such as pristine,…”
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Unified reaction pathways for the prebiotic formation of RNA and DNA nucleobases by Jeilani, Yassin Aweis, Williams, Phoenix N, Walton, Sofia, Nguyen, Minh Tho

“…The reaction pathways for the prebiotic formation of nucleobases are complex and lead to the formation of a mixture of products. In the past 50 years, there…”
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A Unified Perspective on the Hydrogen Atom Transfer and Proton-Coupled Electron Transfer Mechanisms in Terms of Topographic Features of the Ground and Excited Potential Energy Surfaces As Exemplified by the Reaction between Phenol and Radicals by Tishchenko, Oksana, Truhlar, Donald G, Ceulemans, Arnout, Nguyen, Minh Tho

“…The relation between the hydrogen atom transfer (HAT) and proton-coupled electron transfer (PCET) mechanisms is discussed and is illustrated by…”
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Effects of Charge Transfer on the Adsorption of CO on Small Molybdenum‐Doped Platinum Clusters by Ferrari, Piero, Vanbuel, Jan, Tam, Nguyen Minh, Nguyen, Minh Tho, Gewinner, Sandy, Schöllkopf, Wieland, Fielicke, André, Janssens, Ewald

“…The interaction of carbon monoxide with platinum alloy nanoparticles is an important problem in the context of fuel cell catalysis. In this work,…”
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Carboxyl-Functionalized Task-Specific Ionic Liquids for Solubilizing Metal Oxides by Nockemann, Peter, Thijs, Ben, Parac-Vogt, Tatjana N, Van Hecke, Kristof, Van Meervelt, Luc, Tinant, Bernard, Hartenbach, Ingo, Schleid, Thomas, Ngan, Vu Thi, Nguyen, Minh Tho, Binnemans, Koen

“…Imidazolium, pyridinium, pyrrolidinium, piperidinium, morpholinium, and quaternary ammonium bis(trifluoromethylsulfonyl)imide salts were functionalized with a…”
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From Formamide to Purine: A Self-Catalyzed Reaction Pathway Provides a Feasible Mechanism for the Entire Process by Wang, Jing, Gu, Jiande, Nguyen, Minh Tho, Springsteen, Greg, Leszczynski, Jerzy

“…A formamide self-catalyzed mechanistic pathway that transforms formamide to purine through a five-membered ring intermediate has been explored by density…”
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Competitive Molecular and Dissociative Hydrogen Chemisorption on Size Selected Doubly Rhodium Doped Aluminum Clusters by Vanbuel, Jan, Jia, Mei-ye, Ferrari, Piero, Gewinner, Sandy, Schöllkopf, Wieland, Nguyen, Minh Tho, Fielicke, André, Janssens, Ewald

“…The interaction of hydrogen with Al n Rh 2 + ( n  = 10–13) clusters is studied by mass spectrometry and infrared multiple photon dissociation (IRMPD)…”
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Decomposition pathways of formamide in the presence of vanadium and titanium monoxides by Nguyen, Huyen Thi, Nguyen, Minh Tho

“…Thermally feasible decomposition pathways of formamide (FM) in the presence of vanadium VO(X(4)Σ(-)) and titanium TiO(X(3)Δ) monoxides are determined using…”
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Theoretical Study of the Decomposition of Formamide in the Presence of Water Molecules by Nguyen, Vinh Son, Orlando, Thomas M, Leszczynski, Jerzy, Nguyen, Minh Tho

“…Formamide (NH2CHO, FM) has been considered an active key precursor in prebiotic chemistry on early Earth. Under certain conditions such as dry lagoons, FM can…”
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Boron-Boron Multiple Bond in [B(NHC)]2: Towards Stable and Aromatic [B(NHC)]n Rings by Tai, Truong Ba, Nguyen, Minh Tho

“…Chained up: The π conjugation along B‐C‐N chains and a shift into a deep valence area of σ molecular orbitals (HOMO−6) are the reasons for the high stability…”
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The Boron Conundrum: Which Principles Underlie the Formation of Large Hollow Boron Cages? by Muya, Jules Tshishimbi, Lijnen, Erwin, Nguyen, Minh Tho, Ceulemans, Arnout

“…Extensive optimisation calculations are performed for the B80 isomers in order to find out which principles underlie the formation of large hollow boron cages…”
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Electronic Structures and Thermochemical Properties of the Small Silicon-Doped Boron Clusters BnSi (n=1-7) and Their Anions by Tai, Truong Ba, Kadłubański, Paweł, Roszak, Szczepan, Majumdar, Devashis, Leszczynski, Jerzy, Nguyen, Minh Tho

“…We perform a systematic investigation on small silicon‐doped boron clusters BnSi (n=1–7) in both neutral and anionic states using density functional (DFT) and…”
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Singly and doubly lithium doped silicon clusters: geometrical and electronic structures and ionization energies by Tam, Nguyen Minh, Ngan, Vu Thi, de Haeck, Jorg, Bhattacharyya, Soumen, Le, Hai Thuy, Janssens, Ewald, Lievens, Peter, Nguyen, Minh Tho

“…The geometric structures of neutral and cationic Si(n)Li(m)(0/+) clusters with n = 2-11 and m = 1, 2 are investigated using combined experimental and…”
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Autocatalysis in Formose Reaction and Formation of RNA Nucleosides by Jeilani, Yassin Aweis, Nguyen, Minh Tho

“…Understanding of the abiotic formation of nucleosides under geochemical conditions is currently a major scientific challenge. In this study, free radical…”
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Far-Infrared Spectra of Yttrium-Doped Gold Clusters AunY (n=1-9) by Lin, Ling, Claes, Pieterjan, Gruene, Philipp, Meijer, Gerard, Fielicke, André, Nguyen, Minh Tho, Lievens, Peter

“…The geometric, spectroscopic, and electronic properties of neutral yttrium‐doped gold clusters AunY (n=1–9) are studied by far‐infrared multiple photon…”
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Tuning the Geometric Structure by Doping Silicon Clusters by Gruene, Philipp, Fielicke, André, Meijer, Gerard, Janssens, Ewald, Ngan, Vu Thi, Nguyen, Minh Tho, Lievens, Peter

“…Good vibrations: Vibrational spectra of doped silicon clusters are obtained upon IR multiple photon dissociation of their complexes with argon ligands (see…”
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Growth Mechanism and Chemical Bonding in Scandium‐Doped Copper Clusters: Experimental and Theoretical Study in Concert by Höltzl, Tibor, Veldeman, Nele, De Haeck, Jorg, Veszprémi, Tamás, Lievens, Peter, Nguyen, Minh Tho

“…Size matters! The electronic structure and size‐dependent stability of neutral and cationic scandium‐doped copper clusters have been investigated by mass…”
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Pristine and alkali and alkaline earth metals encapsulated B36N36 nanoclusters as prospective delivery agents and detectors for 5‐fluorouracil anticancer drug by Shakerzadeh, Ehsan, Zborowski, Krzysztof K., Anota, Ernesto Chigo, Nguyen, Minh Tho

“…Quantum chemical investigation using density functional theory (DFT) approach is performed to assess the interactions of the anticancer 5‐fluorouracil (FU)…”
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