Ice–Water Interfacial Free Energy for the TIP4P, TIP4P/2005, TIP4P/Ice, and mW Models As Obtained from the Mold Integration Technique (Unknown)
- New search for: Espinosa, Jorge R.
- New search for: Vega, Carlos
- New search for: Sanz, Eduardo
- New search for: Espinosa, Jorge R.
- New search for: Vega, Carlos
- New search for: Sanz, Eduardo
In:
The Journal of Physical Chemistry C
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120
, 15
;
8068-8075
;
2016
- Article (Journal) / Electronic Resource
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Title:Ice–Water Interfacial Free Energy for the TIP4P, TIP4P/2005, TIP4P/Ice, and mW Models As Obtained from the Mold Integration Technique
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Additional title:J. Phys. Chem. C
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Contributors:
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Published in:The Journal of Physical Chemistry C ; 120, 15 ; 8068-8075
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Publisher:
- New search for: American Chemical Society
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Publication date:2016-04-21
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ISSN:
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Coden:
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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:Unknown
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Source:
Table of contents – Volume 120, Issue 15
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.
- 7893
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Voltage-Induced Transients in Methylammonium Lead Triiodide Probed by Dynamic Photoluminescence SpectroscopyJacobs, Daniel L. / Scarpulla, Michael A. / Wang, Chen / Bunes, Benjamin R. / Zang, Ling et al. | 2016
- 7903
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Computational Analysis of Sugar Alcohols as Phase-Change Material: Insight into the Molecular Mechanism of Thermal Energy StorageInagaki, Taichi / Ishida, Toyokazu et al. | 2016
- 7916
-
Thermodynamics of H2 Solution and Diffusion of H in (Pd0.77Ag0.23)1–x Y x AlloysWang, Da / Flanagan, Ted B. et al. | 2016
- 7923
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Second Generation of Diketopyrrolopyrrole Dyes for NiO-Based Dye-Sensitized Solar CellsFarré, Yoann / Zhang, Lei / Pellegrin, Yann / Planchat, Aurelien / Blart, Errol / Boujtita, Mohammed / Hammarström, Leif / Jacquemin, Denis / Odobel, Fabrice et al. | 2016
- 7941
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Enhancement of the Exciton Coherence Size in Organic Semiconductor by Alkyl Chain SubstitutionTanaka, Shunsuke / Miyata, Kiyoshi / Sugimoto, Toshiki / Watanabe, Kazuya / Uemura, Takafumi / Takeya, Jun / Matsumoto, Yoshiyasu et al. | 2016
- 7949
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Effect of the Oxide–Carbon Heterointerface on the Activity of Co3O4/NRGO Nanocomposites toward ORR and OERKumar, Kavita / Canaff, Christine / Rousseau, Julie / Arrii-Clacens, Sandrine / Napporn, Têko W. / Habrioux, Aurélien / Kokoh, Kouakou B. et al. | 2016
- 7959
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Microscopic Optical Absorption, Analysis, and Applications of Famatinite Cu3SbS4Crespo, Cesar Tablero et al. | 2016
- 7966
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Computational Investigation and Design of Cobalt Aqua Complexes for Homogeneous Water OxidationSchilling, Mauro / Patzke, Greta R. / Hutter, Jürg / Luber, Sandra et al. | 2016
- 7976
-
Modeling of Thermal Effect on the Electronic Properties of Photovoltaic Perovskite CH3NH3PbI3: The Case of Tetragonal PhaseMontero-Alejo, Ana L. / Menéndez-Proupin, E. / Hidalgo-Rojas, D. / Palacios, P. / Wahnón, P. / Conesa, J. C. et al. | 2016
- 7987
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Exciton Dynamics in Phthalocyanine Molecular CrystalsFornari, Rocco P. / Aragó, Juan / Troisi, Alessandro et al. | 2016
- 7997
-
Dynamics of Photogenerated Charge Carriers on Ni- and Ta-Doped SrTiO3 Photocatalysts Studied by Time-Resolved Absorption and Emission SpectroscopyYamakata, Akira / Kawaguchi, Masayuki / Murachi, Ryosuke / Okawa, Masahiro / Kamiya, Itaru et al. | 2016
- 8005
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Gains and Losses in PbS Quantum Dot Solar Cells with Submicron Periodic Grating StructuresHara, Yukihiro / Gadisa, Abay / Fu, Yulan / Garvey, Timothy / Vrouwenvelder, Kristina T. / Miller, Christopher W. / Dempsey, Jillian L. / Lopez, Rene et al. | 2016
- 8014
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Poly(bisphenol) Polymers as Passivating Agents for Carbon Electrodes in Ionic LiquidsFletcher, Stephen / Black, Victoria Jane et al. | 2016
- 8023
-
Properties of Contact and Bulk Impedances in Hybrid Lead Halide Perovskite Solar Cells Including Inductive Loop ElementsGuerrero, Antonio / Garcia-Belmonte, Germà / Mora-Sero, Ivan / Bisquert, Juan / Kang, Yong Soo / Jacobsson, T. Jesper / Correa-Baena, Juan-Pablo / Hagfeldt, Anders et al. | 2016
- 8033
-
Spectroscopic Investigation for Oxygen Reduction and Evolution Reactions on Carbon Electrodes in Li–O2 BatteryQiao, Yu / Ye, Shen et al. | 2016
- 8048
-
Quantitative Estimation of Exciton Binding Energy of Polythiophene-Derived Polymers Using Polarizable Continuum Model Tuned Range-Separated Density FunctionalSun, Haitao / Hu, Zhubin / Zhong, Cheng / Zhang, Shian / Sun, Zhenrong et al. | 2016
- 8056
-
Photocatalytic Conversion of Nitric Oxide on Titanium Dioxide: Cryotrapping of Reaction Products for Online Monitoring by Mass SpectrometryLu, Weigang / Olaitan, Abayomi D. / Brantley, Matthew R. / Zekavat, Behrooz / Erdogan, Deniz A. / Ozensoy, Emrah / Solouki, Touradj et al. | 2016
- 8068
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Ice–Water Interfacial Free Energy for the TIP4P, TIP4P/2005, TIP4P/Ice, and mW Models As Obtained from the Mold Integration TechniqueEspinosa, Jorge R. / Vega, Carlos / Sanz, Eduardo et al. | 2016
- 8076
-
Adatom Interactions on GaN(0001) Surface I: Coverage-Dependent AdsorptionChugh, Manjusha / Ranganathan, Madhav et al. | 2016
- 8087
-
Effect of N‑Containing Functional Groups on CO2 Adsorption of Carbonaceous Materials: A Density Functional Theory ApproachLim, Geunsik / Lee, Ki Bong / Ham, Hyung Chul et al. | 2016
- 8096
-
Atomic-Scale Analysis of the RuO2/Water Interface under Electrochemical ConditionsWatanabe, Eriko / Rossmeisl, Jan / Björketun, Mårten E. / Ushiyama, Hiroshi / Yamashita, Koichi et al. | 2016
- 8104
-
Engineering Band Edge Positions of Nickel Oxyhydroxide through Facet SelectionFidelsky, Vicky / Caspary Toroker, Maytal et al. | 2016
- 8109
-
Formation of Trilayer Ices in Graphene Nanocapillaries under High Lateral PressureZhu, YinBo / Wang, FengChao / Bai, Jaeil / Zeng, Xiao Cheng / Wu, HengAn et al. | 2016
- 8116
-
ZIF-67 Framework: A Promising New Candidate for Propylene/Propane Separation. Experimental Data and Molecular SimulationsKrokidas, Panagiotis / Castier, Marcelo / Moncho, Salvador / Sredojevic, Dusan N. / Brothers, Edward N. / Kwon, Hyuk Taek / Jeong, Hae-Kwon / Lee, Jong Suk / Economou, Ioannis G. et al. | 2016
- 8125
-
Effects of Chain Length on the Mechanism and Rates of Metal-Catalyzed Hydrogenolysis of n‑AlkanesHibbitts, David D. / Flaherty, David W. / Iglesia, Enrique et al. | 2016
- 8139
-
A Combined Monte Carlo and Hückel Theory Simulation of Orientational Ordering in C60 AssembliesLeaf, Jeremy / Stannard, Andrew / Jarvis, Samuel P. / Moriarty, Philip / Dunn, Janette L. et al. | 2016
- 8148
-
Atomically Flat Silicon Oxide Monolayer Generated by Remote PlasmaThian, Dickson / Yemane, Yonas T. / Logar, Manca / Xu, Shicheng / Schindler, Peter / Winterkorn, Martin M. / Provine, J / Prinz, Fritz B. et al. | 2016
- 8157
-
D2O Interaction with Planar ZnO(0001) Bilayer Supported on Au(111): Structures, Energetics and Influence of HydroxylsDeng, Xingyi / Sorescu, Dan C. / Lee, Junseok et al. | 2016
- 8167
-
Mn and Co Charge and Spin Evolutions in LaMn1–x Co x O3 NanoparticlesGhiasi, Mahnaz / Delgado-Jaime, Mario Ulises / Malekzadeh, Azim / Wang, Ru-Pan / Miedema, Piter S. / Beye, Martin / de Groot, Frank M. F. et al. | 2016
- 8175
-
Extending the Capabilities of Heterodyne-Detected Sum-Frequency Generation Spectroscopy: Probing Any Interface in Any Polarization CombinationVanselous, Heather / Petersen, Poul B. et al. | 2016
- 8185
-
Decoupling a Thin Well-Ordered TiO2(110) Layer from a TiO2(110) Substrate with a Ti + Ta Mixed Oxide InterlayerSong, Xin / Primorac, Elena / Kuhlenbeck, Helmut / Freund, Hans-Joachim et al. | 2016
- 8191
-
Temporally and Spatially Resolved Oxidation of Si(111)-(7 × 7) Using Kinetic Energy Controlled Supersonic Beams in Combination with Scanning Tunneling MicroscopyWiggins, Bryan / Avila-Bront, L. Gaby / Edel, Ross / Sibener, S. J. et al. | 2016
- 8198
-
Hydration Mechanism of the Hydrogen-Rich Water Based Cement PasteChakraborty, Sumit / Jo, Byung Wan / Sikandar, Muhammad Ali et al. | 2016
- 8210
-
Investigations on the Crystallographic Orientation Induced Surface Morphology Evolution of ZnO Thin Films and Their Wettability and ConductivityChao, Chung-Hua / Chi, Po-Wei / Wei, Da-Hua et al. | 2016
- 8220
-
Origin of Steric Effects in Methane Dissociative ChemisorptionJiang, Bin / Guo, Hua et al. | 2016
- 8227
-
Structural Changes of Cu(110) and Cu(110)-(2 × 1)‑O Surfaces under Carbon Monoxide in the Torr Pressure Range Studied with Scanning Tunneling Microscopy and Infrared Reflection Absorption SpectroscopyEren, Baran / Liu, Zongyuan / Stacchiola, Dario / Somorjai, Gabor A. / Salmeron, Miquel et al. | 2016
- 8232
-
Kinetics of Adsorption of Methylcyclopentadienyl Manganese Tricarbonyl on Copper Surfaces and Implications for the Atomic Layer Deposition of Thin Solid FilmsBouman, Menno / Zaera, Francisco et al. | 2016
- 8240
-
Oxidation and Reduction under Cover: Chemistry at the Confined Space between Ultrathin Nanoporous Silicates and Ru(0001)Zhong, Jian-Qiang / Kestell, John / Waluyo, Iradwikanari / Wilkins, Stuart / Mazzoli, Claudio / Barbour, Andi / Kaznatcheev, Konstantine / Shete, Meera / Tsapatsis, Michael / Boscoboinik, J. Anibal et al. | 2016
- 8246
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Cyclohexene and 1,4-Cyclohexadiene Hydrogenation Occur through Mutually Exclusive Intermediate Pathways on Platinum NanoparticlesKrier, James M. / Komvopoulos, Kyriakos / Somorjai, Gabor A. et al. | 2016
- 8251
-
Molecular Design of a Room-Temperature MaserBogatko, Stuart / Haynes, Peter D. / Sathian, Juna / Wade, Jessica / Kim, Ji-Seon / Tan, Ke-Jie / Breeze, Jonathan / Salvadori, Enrico / Horsfield, Andrew / Oxborrow, Mark et al. | 2016
- 8261
-
Energy Level Structure of Bi3+ in Zircon and Scheelite Polymorphs of YVO4Mahlik, Sebastian / Amer, Mariam / Boutinaud, Philippe et al. | 2016
- 8266
-
Nanoindentation of the Triclinic Molecular Crystal 1,3,5-Triamino-2,4,6-trinitrobenzene: A Molecular Dynamics StudyMathew, Nithin / Sewell, Thomas D. et al. | 2016
- 8278
-
Low-Temperature Structural Modulations in CdMn7O12, CaMn7O12, SrMn7O12, and PbMn7O12 Perovskites Studied by Synchrotron X‑ray Powder Diffraction and Mössbauer SpectroscopyBelik, Alexei A. / Glazkova, Yana S. / Katsuya, Yoshio / Tanaka, Masahiko / Sobolev, Alexey V. / Presniakov, Igor A. et al. | 2016
- 8289
-
Structural Evolution of Ultrathin Films of Rhodamine 6G on GlassChapman, Mingyu / Mullen, Matthew / Novoa-Ortega, Elsa / Alhasani, Mona / Elman, James F. / Euler, William B. et al. | 2016
- 8298
-
Correlation between sp3‑to-sp2 Ratio and Surface Oxygen Functionalities in Tetrahedral Amorphous Carbon (ta-C) Thin Film Electrodes and Implications of Their Electrochemical PropertiesSainio, S. / Nordlund, D. / Caro, M. A. / Gandhiraman, R. / Koehne, J. / Wester, N. / Koskinen, J. / Meyyappan, M. / Laurila, T. et al. | 2016
- 8305
-
Analyses of Thiophene-Based Donor–Acceptor Semiconducting Polymers toward Designing Optical and Conductive Properties: A Theoretical PerspectiveMatsui, Toru / Imamura, Yutaka / Osaka, Itaru / Takimiya, Kazuo / Nakajima, Takahito et al. | 2016
- 8315
-
CVD Graphene Transferred with Au Nanoparticles: An Ideal Platform for TERS and SERS on a Single Triangular NanoplatePérez, Luis A. / Dalfovo, María C. / Troiani, Horacio / Soldati, Analía L. / Lacconi, Gabriela I. / Ibañez, Francisco J. et al. | 2016
- 8323
-
Influence of the Silica Support on the Structure and the Morphology of Silver Nanoparticles: A Molecular Simulation StudyNgandjong, A. C. / Mottet, C. / Puibasset, J. et al. | 2016
- 8333
-
Deposition Kinetics of Graphene Oxide on Charged Self-Assembled MonolayersChen, I-Cheng / Zhang, Ming / Min, Younjin / Akbulut, Mustafa et al. | 2016
- 8343
-
Redox Properties of the Chini Clusters [Pt3(CO)6] n 2– (n = 1–7) in Solution: A Hybrid DFT Study. Application to their Oxidation by O2Archirel, Pierre et al. | 2016
- 8354
-
Effect of Aliphatic versus Aromatic Ligands on the Structure and Optical Absorption of Au20(SR)16Weerawardene, K. L. Dimuthu M. / Aikens, Christine M. et al. | 2016
- 8364
-
Atomic and Electronic Structures of WTe2 Probed by High Resolution Electron Microscopy and ab Initio CalculationsLu, Ning / Zhang, Chenxi / Lee, Chia-Hui / Oviedo, Juan Pablo / Nguyen, Minh An T. / Peng, Xin / Wallace, Robert M. / Mallouk, Thomas E. / Robinson, Joshua A. / Wang, Jinguo et al. | 2016
- 8370
-
Enhanced Magnetic Hyperthermia in Iron Oxide Nano-Octopods: Size and Anisotropy EffectsNemati, Z. / Alonso, J. / Martinez, L. M. / Khurshid, H. / Garaio, E. / Garcia, J. A. / Phan, M. H. / Srikanth, H. et al. | 2016
- 8380
-
Molecular Spacing Modulated Conversion of Singlet Fission to Triplet Fusion in Rubrene-Based Organic Light-Emitting Diodes at Ambient TemperatureJia, Weiyao / Chen, Qiusong / Chen, Lixiang / Yuan, De / Xiang, Jie / Chen, Yingbing / Xiong, Zuhong et al. | 2016
- 8387
-
A‑Site Cation Substitutions in Strained Y‑Doped BaZrO3 Multilayer Films Leading to Fast Proton Transport PathwaysAruta, Carmela / Han, Chu / Zhou, Si / Cantoni, Claudia / Yang, Nan / Tebano, Antonello / Lee, Tien-Lin / Schlueter, Christoph / Bongiorno, Angelo et al. | 2016
- 8392
-
Direct Imaging of Vibrations in Colloidal Crystals: In Equilibrium and in a Steady DriftJanai, Erez / Butenko, Alexander V. / Schofield, Andrew B. / Sloutskin, Eli et al. | 2016
- 8399
-
Structural and Electronic Properties of Ruthenium-Doped Germanium ClustersJin, Yuanyuan / Tian, Yonghong / Kuang, Xiaoyu / Lu, Cheng / Cabellos, José Luis / Mondal, Sukanta / Merino, Gabriel et al. | 2016
- 8405
-
The Corannulene Reduction Mechanism in Ionic Liquids is Controlled by Ion PairingTanner, Eden E. L. / Foong, King Yoong / Hossain, Md. Mokarrom / Batchelor-McAuley, Christopher / Aldous, Leigh / Compton, Richard G. et al. | 2016
- 8411
-
Correlation between Structure and Ferromagnetism in Nano-BiFeO3Modak, P. / Lahiri, Debdutta / Sharma, Surinder M et al. | 2016
- 8417
-
Surface Tension as a Complex Parameter: A Critique of Experimental Evidence from Energy Dissipation Studies on Fibers Partially Immersed at an Air/Water InterfacePethica, Brian A. et al. | 2016