Influence of quantum effects on the physisorption of molecular hydrogen in model carbon foams (English)
- New search for: Marti´nez-Mesa, A.
- New search for: Marti´nez-Mesa, A.
- New search for: Yurchenko, S. N.
- New search for: Patchkovskii, S.
- New search for: Heine, T.
- New search for: Seifert, G.
In:
The journal of chemical physics
;
135
, 21
; 214701-214702
;
2011
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ISSN:
- Article (Journal) / Print
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Title:Influence of quantum effects on the physisorption of molecular hydrogen in model carbon foams
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Contributors:
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Published in:The journal of chemical physics ; 135, 21 ; 214701-214702
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Publisher:
- New search for: AIP
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Place of publication:Melville, NY
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Publication date:2011
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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 135, Issue 21
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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Coarse-graining entropy, forces, and structuresRudzinski, Joseph F. / Noid, W. G. et al. | 2011
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Efficient and accurate local single reference correlation methods for high-spin open-shell molecules using pair natural orbitalsHansen, Andreas / Liakos, Dimitrios G. / Neese, Frank et al. | 2011
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A pseudopotential-based composite method: The relativistic pseudopotential correlation consistent composite approach for molecules containing 4d transition metals (Y–Cd)Laury, Marie L. / DeYonker, Nathan J. / Jiang, Wanyi / Wilson, Angela K. et al. | 2011
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Accurate variational calculations of the ground 2Po(1s22s22p) and excited 2S(1s22s2p2) and 2Po(1s22s23p) states of singly ionized carbon atomBubin, Sergiy / Adamowicz, Ludwik et al. | 2011
- 214105
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SF-[2]R12: A spin-adapted explicitly correlated method applicable to arbitrary electronic statesKong, Liguo et al. | 2011
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Local pair natural orbitals for excited statesHelmich, Benjamin / Hättig, Christof et al. | 2011
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Specific quantum mechanical/molecular mechanical capping-potentials for biomolecular functional groupsIhrig, Arvid Conrad / Schiffmann, Christoph / Sebastiani, Daniel et al. | 2011
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Fighting the curse of dimensionality in first-principles semiclassical calculations: Non-local reference states for large number of dimensionsCeotto, Michele / Tantardini, Gian Franco / Aspuru-Guzik, Alán et al. | 2011
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Calculation of chemical potentials of chain molecules by the incremental gauge cell methodRasmussen, Christopher J. / Vishnyakov, Aleksey / Neimark, Alexander V. et al. | 2011
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A data-integrated method for analyzing stochastic biochemical networksChevalier, Michael W. / El-Samad, Hana et al. | 2011
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Thinking outside the box: The uniform electron gas on a hypersphereLoos, Pierre-François / Gill, Peter M. W. et al. | 2011
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Structural dynamics of surfaces by ultrafast electron crystallography: Experimental and multiple scattering theorySchäfer, Sascha / Liang, Wenxi / Zewail, Ahmed H. et al. | 2011
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Multistage Zeeman deceleration of metastable neonWiederkehr, Alex W. / Motsch, Michael / Hogan, Stephen D. / Andrist, Markus / Schmutz, Hansjürg / Lambillotte, Bruno / Agner, Josef A. / Merkt, Frédéric et al. | 2011
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Effect of microhydration on the guanidinium⋯benzene interactionCabaleiro-Lago, Enrique M. / Rodríguez-Otero, Jesús / Peña-Gallego, Ángeles et al. | 2011
- 214302
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Influence of higher-order dispersion coefficients on near-threshold bound and continuum states: Application to 88Sr2Kaiser, Alexander et al. | 2011
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Vibrational frequencies and spectroscopic constants from quartic force fields for cis-HOCO: The radical and the anionFortenberry, Ryan C. / Huang, Xinchuan / Francisco, Joseph S. / Crawford, T. Daniel / Lee, Timothy J. et al. | 2011
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The electronic spectrum of SiH4: Jahn-Teller Rydberg seriesVelasco, A. M. / Lavín, C. / Sánchez de Merás, A. M. J. / Sánchez Marín, J. et al. | 2011
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Confirmed assignments of isomeric dimethylbenzyl radicals generated by corona dischargeWook Yoon, Young / Kuk Lee, Sang et al. | 2011
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Heavy atom nitroxyl radicals. V. An experimental and ab initio study of the previously unknown H2PS free radicalGrimminger, Robert A. / Clouthier, Dennis J. / Tarroni, Riccardo et al. | 2011
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Heavy atom nitroxyl radicals. VI. The electronic spectrum of jet-cooled H2PO, the prototypical phosphoryl free radicalGharaibeh, Mohammed A. / Clouthier, Dennis J. / Tarroni, Riccardo et al. | 2011
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Studies on the structure, stability, and spectral signatures of hydride ion-water clustersPrakash, M. / Gopalsamy, K. / Subramanian, V. et al. | 2011
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Dissociative electron attachment to triflatesPtasińska, Sylwia / Gschliesser, David / Bartl, Peter / Janik, Ireneusz / Scheier, Paul / Denifl, Stephan et al. | 2011
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Competitive ionization processes of anthracene excited with a femtosecond pulse in the multi-photon ionization regimeGoto, M. / Hansen, K. et al. | 2011
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On the effects of high temperature and high pressure on the hydrogen solubility in rheniumScheler, Thomas / Degtyareva, Olga / Gregoryanz, Eugene et al. | 2011
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Topological origin of stretched exponential relaxation in glassPotuzak, Marcel / Welch, Roger C. / Mauro, John C. et al. | 2011
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Manifestations of probe presence on probe dynamics in supercooled liquidsMackowiak, Stephan A. / Noble, Jade M. / Kaufman, Laura J. et al. | 2011
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Redistribution of carbonyl stretch mode energy in isolated and solvated N-methylacetamide: Kinetic energy spectral density analysesJeon, Jonggu / Cho, Minhaeng et al. | 2011
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Analyzing mechanisms and microscopic reversibility of self-assemblyGrant, James / Jack, Robert L. / Whitelam, Stephen et al. | 2011
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The tautomerization phenomenon of glibenclamide drug monitored by means of volumetric measurementsWojnarowska, Z. / Paluch, M. / Pionteck, J. et al. | 2011
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Thermal properties of ionic systems near the liquid-liquid critical pointMéndez-Castro, Pablo / Troncoso, Jacobo / Pérez-Sánchez, Germán / Peleteiro, José / Romaní, Luis et al. | 2011
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The dependence of singlet exciton relaxation on excitation density and temperature in polycrystalline tetracene thin films: Kinetic evidence for a dark intermediate state and implications for singlet fissionBurdett, Jonathan J. / Gosztola, David / Bardeen, Christopher J. et al. | 2011
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Vibrational dynamics of the bending mode of water interacting with ionsPiatkowski, L. / Bakker, H. J. et al. | 2011
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Influence of quantum effects on the physisorption of molecular hydrogen in model carbon foamsMartínez-Mesa, A. / Yurchenko, S. N. / Patchkovskii, S. / Heine, T. / Seifert, G. et al. | 2011
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First principles study of adsorption of O2 on Al surface with hybrid functionalsLiu, Heng-Rui / Xiang, Hongjun / Gong, X. G. et al. | 2011
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Statics of polymer droplets on deformable surfacesLéonforte, F. / Müller, M. et al. | 2011
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Electrical conductivity in Li2O2 and its role in determining capacity limitations in non-aqueous Li-O2 batteriesViswanathan, V. / Thygesen, K. S. / Hummelshøj, J. S. / Nørskov, J. K. / Girishkumar, G. / McCloskey, B. D. / Luntz, A. C. et al. | 2011
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Capillary filling with giant liquid/solid slip: Dynamics of water uptake by carbon nanotubesJoly, Laurent et al. | 2011
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Sedimentation of a charged colloidal sphere in a charged cavityKeh, Huan J. / Cheng, Tsung F. et al. | 2011
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Solvent response of mixed polymer brushesGong, Kai / Chapman, Walter G. et al. | 2011
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Interactions between polymer brush-coated spherical nanoparticles: The good solvent caseVerso, Federica Lo / Yelash, Leonid / Egorov, Sergei A. / Binder, Kurt et al. | 2011
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A coarse-grained model for polyethylene glycol polymerWang, Qifei / Keffer, David J. / Nicholson, Donald M. et al. | 2011
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Erratum: “Implementation of pseudopotential in the G3 theory for molecules containing first-, second-, and non-transition third-row atoms” [Pereira, Douglas Henrique / Ramos, Alex Freitas / Morgon, Nelson Henrique / Custodio, Rogério et al. | 2011
J. Chem. Phys. 135, 034106 (2011)] -
Erratum: ‘‘Self-consistent equations governing the dynamics of non-equilibrium colloidal systems’’ [Zhao, Shuang-Liang / Wu, Jianzhong et al. | 2011
J. Chem. Phys. 134, 054514 (2011)] -
Publisher's Note: “Thermodynamic properties of methane/water interface predicted by molecular dynamics simulations” [Sakamaki, Ryuji / Sum, Amadeu K. / Narumi, Tetsu / Ohmura, Ryo / Yasuoka, Kenji et al. | 2011
J. Chem. Phys. 134, 144702 (2011)] -
$\hbox{SF-[2]}_{\text{R12}}$: A spin-adapted explicitly correlated method applicable to arbitrary electronic statesKong, Liguo / Valeev, Edward F. et al. | 2011
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Influence of higher-order dispersion coefficients on near-threshold bound and continuum states: Application to ${}^{88}\text{Sr}_2$Kaiser, Alexander / Müller, Tim-Oliver / Friedrich, Harald et al. | 2011