A first-principles study of the SnO2 monolayer with hexagonal structure (English)
- New search for: Xiao, Wen-Zhi
- New search for: Xiao, Gang
- New search for: Wang, Ling-Ling
- New search for: Xiao, Wen-Zhi
- New search for: Xiao, Gang
- New search for: Wang, Ling-Ling
In:
The Journal of Chemical Physics
;
145
, 17
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9
;
2016
- Article (Journal) / Electronic Resource
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Title:A first-principles study of the SnO2 monolayer with hexagonal structure
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Contributors:
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Published in:The Journal of Chemical Physics ; 145, 17 ; 9
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Publisher:
- New search for: AIP Publishing LLC
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Publication date:2016-11-07
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Size:9 pages
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ISSN:
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DOI:
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Type of media:Article (Journal)
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Type of material:Electronic Resource
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Language:English
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Keywords:
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Source:
Table of contents – Volume 145, Issue 17
The tables of contents are generated automatically and are based on the data records of the individual contributions available in the index of the TIB portal. The display of the Tables of Contents may therefore be incomplete.
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Dissipative particle dynamics for systems with high density of charges: Implementation of electrostatic interactionsGavrilov, A. A. / Chertovich, A. V. / Kramarenko, E. Yu. et al. | 2016
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Fabrication of electrocatalytic Ta nanoparticles by reactive sputtering and ion soft landingJohnson, Grant E. / Moser, Trevor / Engelhard, Mark / Browning, Nigel D. / Laskin, Julia et al. | 2016
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Communication: Constant uncertainty molecular dynamics: A simple and efficient algorithm to incorporate quantum nature into a real-time molecular dynamics simulationHasegawa, Taisuke et al. | 2016
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Ion aggregation in high salt solutions. VI. Spectral graph analysis of chaotropic ion aggregatesChoi, Jun-Ho / Cho, Minhaeng et al. | 2016
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Direct coevolutionary couplings reflect biophysical residue interactions in proteinsCoucke, Alice / Uguzzoni, Guido / Oteri, Francesco / Cocco, Simona / Monasson, Remi / Weigt, Martin et al. | 2016
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End-anchored polymers in good solvents from the single chain limit to high anchoring densitiesWhitmore, Mark D. / Grest, Gary S. / Douglas, Jack F. / Kent, Michael S. / Suo, Tongchuan et al. | 2016
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Nonequilibrium all-atom molecular dynamics simulation of the bubble cavitation and application to dissociate amyloid fibrilsHoang Viet, Man / Derreumaux, Philippe / Nguyen, Phuong H. et al. | 2016
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Vapor-deposited alcohol glasses reveal a wide range of kinetic stabilityTylinski, M. / Chua, Y. Z. / Beasley, M. S. / Schick, C. / Ediger, M. D. et al. | 2016
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Catalytic conversion in nanoporous materials: Concentration oscillations and spatial correlations due to inhibited transport and intermolecular interactionsGarcía, Andrés / Evans, James W. et al. | 2016
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Estimation of damped oscillation associated spectra from ultrafast transient absorption spectravan Stokkum, Ivo H. M. / Jumper, Chanelle C. / Snellenburg, Joris J. / Scholes, Gregory D. / van Grondelle, Rienk / Malý, Pavel et al. | 2016
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On metastability and Markov state models for non-stationary molecular dynamicsKoltai, Péter / Ciccotti, Giovanni / Schütte, Christof et al. | 2016
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Experimental testing of ab initio potential energy surfaces: Stereodynamics of NO(A2Σ+) + Ne inelastic scattering at multiple collision energiesLuxford, Thomas F. M. / Sharples, Thomas R. / McKendrick, Kenneth G. / Costen, Matthew L. et al. | 2016
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Comparing generalized ensemble methods for sampling of systems with many degrees of freedomLincoff, James / Sasmal, Sukanya / Head-Gordon, Teresa et al. | 2016
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A soft damping function for dispersion corrections with less overfittingUcak, Umit V. / Ji, Hyunjun / Singh, Yashpal / Jung, Yousung et al. | 2016
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Full-time kinetics of self-assembly and disassembly in micellar solution via the generalized Smoluchowski equation with fusion and fission of surfactant aggregatesShchekin, Alexander K. / Babintsev, Ilya A. / Adzhemyan, Loran Ts. et al. | 2016
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Ab initio effective rotational and rovibrational Hamiltonians for non-rigid systems via curvilinear second order vibrational Møller–Plesset perturbation theoryChangala, P. Bryan / Baraban, Joshua H. et al. | 2016
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Thermodynamic properties of triangle-well fluids in two dimensions: MC and MD simulationsReyes, Yuri / Bárcenas, Mariana / Odriozola, Gerardo / Orea, Pedro et al. | 2016
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Absolute cross sections for electronic excitation of condensed tetrahydrofuran (THF) by 11-16 eV electronsLemelin, V. / Bass, A. D. / Cloutier, P. / Sanche, L. et al. | 2016
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Effect of atomic size on undercoolability of binary solid solution alloy liquids with Zr, Ti, and Hf using electrostatic levitationJeon, S. / Kang, D.-H. / Lee, Y. H. / Lee, S. / Lee, G. W. et al. | 2016
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Energy anisotropy as a function of the direction of spin magnetization for a doublet systemCherry, Peter J. / Malkin, Vladimir G. / Malkina, Olga L. / Asher, James R. et al. | 2016
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Investigating the ground-state rotamers of n-propylperoxy radicalHoobler, Preston R. / Turney, Justin M. / Schaefer, Henry F. et al. | 2016
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Vibrationally resolved lifetimes of the 21Σu+ state of Na2Anunciado, Roy B. / Ashman, Seth / Hüwel, Lutz et al. | 2016
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Five intermolecular vibrations of the CO2 dimer observed via infrared combination bandsNorooz Oliaee, J. / Dehghany, M. / Rezaei, Mojtaba / McKellar, A. R. W. / Moazzen-Ahmadi, N. et al. | 2016
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GW-BSE approach on S1 vertical transition energy of large charge transfer compounds: A performance assessmentZiaei, Vafa / Bredow, Thomas et al. | 2016
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Communication: No guidance needed: Ordered structures and transformations of thin methanol ice on hydrophobic surfacesHe, Xing / Wu, Chengyi / Yang, Ding-Shyue et al. | 2016
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Efficient and accurate evaluation of potential energy matrix elements for quantum dynamics using Gaussian process regressionAlborzpour, Jonathan P. / Tew, David P. / Habershon, Scott et al. | 2016
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Infrared spectroscopy and theory of the formaldehyde cation and its hydroxymethylene isomerMauney, D. T. / Mosley, J. D. / Madison, L. R. / McCoy, A. B. / Duncan, M. A. et al. | 2016
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Dynamics of heteromolecular filament formationDear, Alexander J. / Michaels, Thomas C. T. / Knowles, Tuomas P. J. et al. | 2016
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Publisher’s Note: “Diffusion of helical particles in the screw-like nematic phase” [J. Chem. Phys. 145, 134903 (2016)]Cinacchi, Giorgio / Pintus, Alberto Maria / Tani, Alessandro et al. | 2016
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Quantum state resolved molecular beam reflectivity measurements: CH4 dissociation on Pt(111)Chadwick, Helen / Gutiérrez-González, Ana / Beck, Rainer D. et al. | 2016
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On the polymer physics origins of protein folding thermodynamicsTaylor, Mark P. / Paul, Wolfgang / Binder, Kurt et al. | 2016
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Analytic formulation of derivative coupling vectors for complete active space configuration interaction wavefunctions with floating occupation molecular orbitalsHohenstein, Edward G. et al. | 2016
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Real-space pseudopotential method for computing the vibrational Stark effectGarrett, Benjamin F. / Azuri, Ido / Kronik, Leeor / Chelikowsky, James R. et al. | 2016
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Giant many-body effects in liquid ammonia absorption spectrumZiaei, Vafa / Bredow, Thomas et al. | 2016
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A first-principles study of the SnO2 monolayer with hexagonal structureXiao, Wen-Zhi / Xiao, Gang / Wang, Ling-Ling et al. | 2016
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The influence of coronene super-hydrogenation on the coronene-graphite interactionSkov, Anders W. / Andersen, Mie / Thrower, John D. / Jørgensen, Bjarke / Hammer, Bjørk / Hornekær, Liv et al. | 2016
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Polymer translocation through nanopore into active bathPu, Mingfeng / Jiang, Huijun / Hou, Zhonghuai et al. | 2016
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Intermolecular interactions of oligothienoacenes: Do S⋯S interactions positively contribute to crystal structures of sulfur-containing aromatic molecules?Tsuzuki, Seiji / Orita, Hideo / Sato, Naoki et al. | 2016
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Ultrafast photoelectron migration in dye-sensitized solar cells: Influence of the binding mode and many-body interactionsHermann, G. / Tremblay, J. C. et al. | 2016
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Multiblob coarse-graining for mixtures of long polymers and soft colloidsLocatelli, Emanuele / Capone, Barbara / Likos, Christos N. et al. | 2016
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Charting molecular free-energy landscapes with an atlas of collective variablesHashemian, Behrooz / Millán, Daniel / Arroyo, Marino et al. | 2016
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Insight into the unit cell: Structure of picene thin films on Ag(100) revealed with complementary methodsHuempfner, Tobias / Hafermann, Martin / Udhardt, Christian / Otto, Felix / Forker, Roman / Fritz, Torsten et al. | 2016
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Perspective: Machine learning potentials for atomistic simulationsBehler, Jörg et al. | 2016
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Multicomponent adsorption in mesoporous flexible materials with flat-histogram Monte Carlo methodsMahynski, Nathan A. / Shen, Vincent K. et al. | 2016