Search Results - "Journal of physical chemistry (1952)"

Correlating Sulfur Solubility with Short-to-Intermediate Range Ordering in the Structure of Borosilicate Glasses by Saini, Rajan, Kapoor, Saurabh, Neuville, Daniel R, Youngman, Randall E, Cerrutti, Bianca M, McCloy, John S, Eckert, Hellmut, Goel, Ashutosh

“…The present study focuses on understanding the structural dependence of sulfur (as SO3) solubility in Na2O–B2O3–SiO2 glasses over a broad composition space…”
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Static and Dynamic Disorder in Triple-Cation Hybrid Perovskites by Baranowski, M, Urban, J. M, Zhang, N, Surrente, A, Maude, D. K, Andaji-Garmaroudi, Zahra, Stranks, S. D, Plochocka, P

“…A detailed understanding of the carrier dynamics and emission characteristics of organic–inorganic lead halide perovskites is critical for their optoelectronic…”
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Microscopic Structure of Neat Linear Alkylamine Liquids: An X‑Ray Scattering and Computer Simulation Study by Požar, Martina, Friedrich, Lena, Millet, Tristan, Paulus, Michael, Sternemann, Christian, Perera, Aurélien

“…Linear amines, from propylamine to nonylamine, are studied under ambient conditions by X-ray scattering and molecular dynamics simulations of various force…”
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Insight on the Surface Structure Effect of Free Gold Nanorods on Glucose Electrooxidation by Hebié, Seydou, Cornu, Lucile, Napporn, Teko W, Rousseau, Julie, Kokoh, Boniface K

“…The physicochemical properties of noble metal such as gold strongly depend on their size, shape, and their surface structure composition. Gold NPs have been…”
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Study of the Selection Rules of Molecular Polaritonic Transitions by Two-Photon Absorption Spectroscopy by Wang, Kuidong, Tao, Weijian, Nagarajan, Kalaivanan, Kushida, Soh, Sandeep, Kulangara, Genet, Cyriaque, Ebbesen, Thomas W.

“…Strong light–matter coupling provides a new way to manipulate the physical and chemical properties of molecules. The study of intrinsic properties of the…”
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Long-Range Configuration Interaction with an Ab Initio Short-Range Correction and an Asymptotic Lower Bound by Scemama, Anthony, Savin, Andreas

“…Short-range corrections to long-range selected configuration interaction calculations are derived from perturbation theory considerations and applied to…”
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Plasmonic Shaping in Gold Nanoparticle Three-Dimensional Assemblies by Jägeler-Hoheisel, Till, Cordeiro, Julien, Lecarme, Olivier, Cuche, Aurélien, Girard, Christian, Dujardin, Erik, Peyrade, David, Arbouet, Arnaud

“…When a large number of similar gold particles are organized into complex architectures, the dipolar plasmon spectrum of the individual plasmonic entities gives…”
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VUV Excitation of YBO3 and (Y,Gd)BO3 Phosphors Doped with Eu3+ or Tb3+: Comparison of Efficiencies and Effect of Site-Selectivity by Dexpert-Ghys, Jeannette, Mauricot, Robert, Caillier, Bruno, Guillot, Philippe, Beaudette, Tristan, Jia, Guohua, Tanner, Peter A, Cheng, Bing-Ming

“…Borate phosphors, with formulations Y0.95Eu0.05BO3 (YBEu), Y0.95Tb0.05BO3 (YBTb), Y0.57Gd0.38Eu0.05BO3 (Y6G4BEu), and Y0.57Gd0.38Tb0.05BO3 (Y6G4BTb) have been…”
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Functionalizing Effect of Increasingly Graphitic Carbon Supports on Carbon-Supported and TiO2–Carbon Composite-Supported Pt Nanoparticles by Ma, J, Habrioux, A, Guignard, N, Alonso-Vante, N

“…Strong interaction between Pt nanoparticles and graphitic carbon in carbon-based and oxide–carbon composite substrates is demonstrated using electrochemical CO…”
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Determining Local Magnetic Susceptibility Tensors in Paramagnetic Lanthanide Crystalline Powders from Solid-State NMR Chemical Shift Anisotropies by Ince, Ridvan, Doudouh, Abdelatif, Claiser, Nicolas, Furet, Éric, Guizouarn, Thierry, Le Pollès, Laurent, Kervern, Gwendal

“…Exploring magnetic properties at the molecular level is a challenge that has been met by developing many experimental and theoretical solutions, such as…”
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IRFEL Selective Irradiation of Amorphous Solid Water: from Dangling to Bulk Modes by Coussan, Stephane, Noble, Jennifer A, Cuppen, Herma M, Redlich, Britta, Ioppolo, Sergio

“…Amorphous solid water (ASW) is one of the most widely studied solid phase systems. A better understanding of the nature of inter- and intramolecular forces in…”
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Tailored Silicon Nanopost Arrays for Resonant Nanophotonic Ion Production by Walker, Bennett N, Stolee, Jessica A, Pickel, Deanna L, Retterer, Scott T, Vertes, Akos

“…Nanostructures that have dimensions commensurate with the wavelength of the electromagnetic radiation exhibit near-field effects and, as optical antennas, can…”
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Structure and Phase Behavior of a Discotic Columnar Liquid Crystal Confined in Nanochannels by Cerclier, Carole V, Ndao, Makha, Busselez, Rémi, Lefort, Ronan, Grelet, Eric, Huber, Patrick, Kityk, Andriy V, Noirez, Laurence, Schönhals, Andreas, Morineau, Denis

“…The confinement of discotic columnar liquid crystal in nanoporous templates is a promising strategy to design nanofibers with potential applications in organic…”
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Electronic Structure of a Spin Crossover Molecular Adsorbate by Zhang, Xin, Palamarciuc, Tatiana, Rosa, Patrick, Létard, Jean-François, Doudin, Bernard, Zhang, ZhengZheng, Wang, Jian, Dowben, Peter A

“…We have investigated the occupied and unoccupied electronic structure of ultrahigh vacuum (UHV) evaporated molecular thin films of the spin crossover…”
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Photoinduced Size-Controlled Generation of Silver Nanoparticles Coated with Carboxylate-Derivatized Thioxanthones by Malval, Jean-Pierre, Jin, Ming, Balan, Lavinia, Schneider, Raphaël, Versace, Davy-Louis, Chaumeil, Hélène, Defoin, Albert, Soppera, Olivier

“…We report a new strategy for a rapid photoinduced synthesis of monodisperse ligand-coated silver nanoparticles. Such nanoparticles are produced through a very…”
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Scaled Second-Order Perturbation Corrections to Configuration Interaction Singles:  Efficient and Reliable Excitation Energy Methods by Rhee, Young Min, Head-Gordon, Martin

“…Two modifications of the perturbative doubles correction to configuration interaction with single substitutions (CIS(D)) are suggested, which are excited state…”
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Observation and Simulation of Transient Anion Oligomers (LiClO4) n – (n = 1–4) in Diethyl Carbonate LiClO4 Solutions by Wang, Furong, Pernot, Pascal, Archirel, Pierre, Schmidhammer, Uli, Ortiz, Daniel, Le Caër, Sophie, Mostafavi, Mehran

“…NMR measurements show that diethyl carbonate (DEC, a solvent with a low dielectric constant) solutions of LiClO4 contain (LiClO4) n oligomers. The reduction of…”
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Unique Challenges Accompany Thick-Shell CdSe/nCdS (n > 10) Nanocrystal Synthesis by Guo, Yijun, Marchuk, Kyle, Sampat, Siddharth, Abraham, Rachel, Fang, Ning, Malko, Anton V, Vela, Javier

“…Thick-shell CdSe/nCdS (n ≥ 10) nanocrystals were recently reported that show remarkably suppressed fluorescence intermittency or “blinking” at the…”
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Vibration Frequencies of Ca3Fe2Si3O12 Andradite:  An ab Initio Study with the CRYSTAL Code by Pascale, F, Catti, M, Damin, A, Orlando, R, Saunders, V. R, Dovesi, R

“…The vibrational spectrum of Ca3Fe2Si3O12 andradite is calculated at the Γ point by using the periodic ab initio CRYSTAL program that adopts an all-electron…”
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Computational Studies of Catechol and Water Interactions with Titanium Oxide Nanoparticles by Redfern, P. C, Zapol, P, Curtiss, L. A, Rajh, T, Thurnauer, M. C

“…The interaction of catechol and water with titanium oxide nanoparticles was investigated using ab initio molecular orbital theory and density functional…”
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