Competition between ices Ih and Ic in homogeneous water freezing (English)
- New search for: Espinosa, Jorge R
- New search for: Espinosa, Jorge R
- New search for: Valeriani, Chantal
- New search for: Sanz, Eduardo
- New search for: Zaragoza, Alberto
- New search for: Vega, Carlos
- New search for: Conde, Maria M
In:
The journal of chemical physics
;
143
, 13
;
2015
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ISSN:
- Article (Journal) / Print
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Title:Competition between ices Ih and Ic in homogeneous water freezing
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Contributors:Espinosa, Jorge R ( author ) / Valeriani, Chantal / Sanz, Eduardo / Zaragoza, Alberto / Vega, Carlos / Conde, Maria M
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Published in:The journal of chemical physics ; 143, 13
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Publisher:
- New search for: AIP
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Place of publication:Melville, NY
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Publication date:2015
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ISSN:
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ZDBID:
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Type of media:Article (Journal)
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Type of material:Print
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Language:English
- New search for: 35.10
- Further information on Basic classification
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Keywords:
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Classification:
BKL: 35.10 Physikalische Chemie: Allgemeines -
Source:
Table of contents – Volume 143, Issue 13
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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Semiclassical Green’s functions and an instanton formulation of electron-transfer rates in the nonadiabatic limitRichardson, Jeremy O. / Bauer, Rainer / Thoss, Michael et al. | 2015
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Higher-order diagrammatic vibrational coupled-cluster theoryFaucheaux, Jacob A. / Hirata, So et al. | 2015
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Unusual dynamic properties of water near the ice-binding plane of hyperactive antifreeze proteinKuffel, Anna / Czapiewski, Dariusz / Zielkiewicz, Jan et al. | 2015
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Analytic energy gradient of excited electronic state within TDDFT/MMpol framework: Benchmark tests and parallel implementationZeng, Qiao / Liang, WanZhen et al. | 2015
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Mixed random walks with a trap in scale-free networks including nearest-neighbor and next-nearest-neighbor jumpsZhang, Zhongzhi / Dong, Yuze / Sheng, Yibin et al. | 2015
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Long-range orientation correlation in dipolar liquids probed by hyper-Rayleigh scatteringShelton, David P. et al. | 2015
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Nonadiabatic vibrational dynamics in the HCO complexHamm, Peter / Stock, Gerhard et al. | 2015
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On coarse projective integration for atomic deposition in amorphous systemsChuang, Claire Y. / Han, Sang M. / Zepeda-Ruiz, Luis A. / Sinno, Talid et al. | 2015
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Calculating vibrational spectra without determining excited eigenstates: Solving the complex linear equations of damped response theory for vibrational configuration interaction and vibrational coupled cluster statesGodtliebsen, Ian H. / Christiansen, Ove et al. | 2015
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Complete dissociation branching fractions and Coulomb explosion dynamics of SO2 induced by excitation of O 1s pre-edge resonancesSalén, Peter / Yatsyna, Vasyl / Schio, Luca / Feifel, Raimund / af Ugglas, Magnus / Richter, Robert / Alagia, Michele / Stranges, Stefano / Zhaunerchyk, Vitali et al. | 2015
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Mixed-valence molecular four-dot unit for quantum cellular automata: Vibronic self-trapping and cell-cell responseTsukerblat, Boris / Palii, Andrew / Clemente-Juan, Juan Modesto / Coronado, Eugenio et al. | 2015
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Electron momentum spectroscopy of dimethyl ether taking account of nuclear dynamics in the electronic ground stateMorini, Filippo / Watanabe, Noboru / Kojima, Masataka / Deleuze, Michael Simon / Takahashi, Masahiko et al. | 2015
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Annealing kinetics of electrodeposited lithium dendritesAryanfar, Asghar / Cheng, Tao / Colussi, Agustin J. / Merinov, Boris V. / Goddard, William A. / Hoffmann, Michael R. et al. | 2015
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Parameter optimization in differential geometry based solvation modelsWang, Bao / Wei, G. W. et al. | 2015
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Electrostatic point charge fitting as an inverse problem: Revealing the underlying ill-conditioningIvanov, Maxim V. / Talipov, Marat R. / Timerghazin, Qadir K. et al. | 2015
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Molecular Dynamics and Monte Carlo simulations in the microcanonical ensemble: Quantitative comparison and reweighting techniquesSchierz, Philipp / Zierenberg, Johannes / Janke, Wolfhard et al. | 2015
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Using Bayes formula to estimate rates of rare events in transition path sampling simulationsTerrier, Pierre / Marinica, Mihai-Cosmin / Athènes, Manuel et al. | 2015
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Network representation of conformational transitions between hidden intermediates of Rd-apocytochrome b562Duan, Mojie / Liu, Hanzhong / Li, Minghai / Huo, Shuanghong et al. | 2015
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Surface hopping, transition state theory, and decoherence. II. Thermal rate constants and detailed balanceJain, Amber / Subotnik, Joseph E. et al. | 2015
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An excited-state approach within full configuration interaction quantum Monte CarloBlunt, N. S. / Smart, Simon D. / Booth, George H. / Alavi, Ali et al. | 2015
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Coil–globule transition of a polymer involved in excluded-volume interactions with macromoleculesOdagiri, Kenta / Seki, Kazuhiko et al. | 2015
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Simultaneous calorimetric and polarization microscopy investigations of light induced changes over phase transitions in a liquid crystal–napthopyran mixturePaoloni, S. / Mercuri, F. / Marinelli, M. / Pizzoferrato, R. / Zammit, U. / Kosa, T. / Sukhomlinova, L. / Taheri, B. et al. | 2015
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Ionic screening of charged impurities in electrolytically gated graphene: A partially linearized Poisson-Boltzmann modelSharma, P. / Mišković, Z. L. et al. | 2015
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Accurate measurements and temperature dependence of the water vapor self-continuum absorption in the 2.1 μm atmospheric windowVentrillard, I. / Romanini, D. / Mondelain, D. / Campargue, A. et al. | 2015
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Benzonitrile: Electron affinity, excited states, and anion solvationDixon, Andrew R. / Khuseynov, Dmitry / Sanov, Andrei et al. | 2015
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Competition between ices Ih and Ic in homogeneous water freezingZaragoza, Alberto / Conde, Maria M. / Espinosa, Jorge R. / Valeriani, Chantal / Vega, Carlos / Sanz, Eduardo et al. | 2015
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Communication: Cosolvency and cononsolvency explained in terms of a Flory-Huggins type theoryDudowicz, Jacek / Freed, Karl F. / Douglas, Jack F. et al. | 2015
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Enhanced computational efficiency in the direct determination of the two-electron reduced density matrix from the anti-Hermitian contracted Schrödinger equation with application to ground and excited states of conjugated π-systemsSand, Andrew M. / Mazziotti, David A. et al. | 2015
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A generalized force-modified potential energy surface for mechanochemical simulationsSubramanian, Gopinath / Mathew, Nithin / Leiding, Jeff et al. | 2015
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Graphene-enhanced intermolecular interaction at interface between copper- and cobalt-phthalocyaninesDou, Wei-Dong / Huang, Shu-Ping / Lee, Chun-Sing et al. | 2015
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On the role of HNS and HSN as light-sensitive NO-donors for delivery in biological mediaTrabelsi, Tarek / Linguerri, Roberto / Ben Yaghlane, Saida / Jaidane, Nejm-Eddine / Mogren Al-Mogren, Muneerah / Francisco, Joseph S. / Hochlaf, Majdi et al. | 2015
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Synthesis of nanoparticles in helium droplets—A characterization comparing mass-spectra and electron microscopy dataThaler, Philipp / Volk, Alexander / Knez, Daniel / Lackner, Florian / Haberfehlner, Georg / Steurer, Johannes / Schnedlitz, Martin / Ernst, Wolfgang E. et al. | 2015
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Ring-polymer instanton theory of electron transfer in the nonadiabatic limitRichardson, Jeremy O. et al. | 2015
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Ionic liquids—Conventional solvent mixtures, structurally different but dynamically similarAraque, Juan C. / Hettige, Jeevapani J. / Margulis, Claudio J. et al. | 2015
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Erratum: “Autodetachment spectroscopy of the aluminum oxide anion dipole bound state” [J. Chem. Phys. 143, 114311 (2015)]Mascaritolo, Kyle J. / Gardner, Adrian M. / Heaven, Michael C. et al. | 2015
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Dynamic characterization of crystalline and glass phases of deuterated 1,1,2,2 tetrachloroethanePérez, Silvina C. / Zuriaga, Mariano / Serra, Pablo / Wolfenson, Alberto / Negrier, Philippe / Tamarit, Josep Lluis et al. | 2015
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On cooperative effects and aggregation of GNNQQNY and NNQQNY peptidesNochebuena, Jorge / Ireta, Joel et al. | 2015
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Long-range correction for tight-binding TD-DFTHumeniuk, Alexander / Mitrić, Roland et al. | 2015
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Defect calculations in semiconductors through a dielectric-dependent hybrid DFT functional: The case of oxygen vacancies in metal oxidesGerosa, Matteo / Bottani, Carlo Enrico / Caramella, Lucia / Onida, Giovanni / Di Valentin, Cristiana / Pacchioni, Gianfranco et al. | 2015
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Transition state ensemble optimization for reactions of arbitrary complexityZinovjev, Kirill / Tuñón, Iñaki et al. | 2015
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Retrieval of complex χ(2) parts for quantitative analysis of sum-frequency generation intensity spectraHofmann, Matthias J. / Koelsch, Patrick et al. | 2015
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A systematic study of the isothermal crystallization of the mono-alcohol n-butanol monitored by dielectric spectroscopyJensen, M. H. / Alba-Simionesco, C. / Niss, K. / Hecksher, T. et al. | 2015
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Pressure effect on the zero-phonon line emission of Mn4+ in K2SiF6Lazarowska, A. / Mahlik, S. / Grinberg, M. / Lin, Chun Che / Liu, Ru-Shi et al. | 2015
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Effect of mobile ions on the electric field needed to orient charged diblock copolymer thin filmsDehghan, Ashkan / Schick, M. / Shi, An-Chang et al. | 2015
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Multiresolution persistent homology for excessively large biomolecular datasetsXia, Kelin / Zhao, Zhixiong / Wei, Guo-Wei et al. | 2015
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Polymer segregation under confinement: Influences of macromolecular crowding and the interaction between the polymer and crowdersChen, Yuhao / Yu, Wancheng / Wang, Jiajun / Luo, Kaifu et al. | 2015
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Dynamics of copper-phthalocyanine molecules on Au/Ge(001)Sotthewes, K. / Heimbuch, R. / Zandvliet, H. J. W. et al. | 2015
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Multi-scaled normal mode analysis method for dynamics simulation of protein-membrane complexes: A case study of potassium channel gating motion correlationsWu, Xiaokun / Han, Min / Ming, Dengming et al. | 2015
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Fluid contact angle on solid surfaces: Role of multiscale surface roughnessBottiglione, F. / Carbone, G. / Persson, B. N. J. et al. | 2015
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An eight-dimensional quantum dynamics study of the Cl + CH4→ HCl + CH3 reactionLiu, Na / Yang, Minghui et al. | 2015
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Surface hopping, transition state theory and decoherence. I. Scattering theory and time-reversibilityJain, Amber / Herman, Michael F. / Ouyang, Wenjun / Subotnik, Joseph E. et al. | 2015