Intermolecular potential energy surface and thermophysical properties of propane (English)
- New search for: Hellmann, Robert
- New search for: Hellmann, Robert
In:
The Journal of Chemical Physics
;
146
, 11
;
8
;
2017
- Article (Journal) / Electronic Resource
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Title:Intermolecular potential energy surface and thermophysical properties of propane
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Additional title:Robert Hellmann
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Contributors:Hellmann, Robert ( author )
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Published in:The Journal of Chemical Physics ; 146, 11 ; 8
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Publisher:
- New search for: AIP Publishing LLC
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Publication date:2017-03-21
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Size:8 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 146, Issue 11
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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Grand canonical electronic density-functional theory: Algorithms and applications to electrochemistrySundararaman, Ravishankar / Goddard, William A. / Arias, Tomas A. et al. | 2017
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Phase behaviour of quasicrystal forming systems of core-corona particlesPattabhiraman, Harini / Dijkstra, Marjolein et al. | 2017
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A new approach to molecular dynamics with non-adiabatic and spin-orbit effects with applications to QM/MM simulations of thiophene and selenophenePederzoli, Marek / Pittner, Jiří et al. | 2017
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Coherent manipulation of non-thermal spin order in optical nuclear polarization experimentsBuntkowsky, Gerd / Ivanov, Konstantin L. / Zimmermann, Herbert / Vieth, Hans-Martin et al. | 2017
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Effect of the reflectional symmetry on the coherent hole transport across DNA hairpinsZarea, Mehdi / Berlin, Yuri / Ratner, Mark A. et al. | 2017
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Learning molecular energies using localized graph kernelsFerré, Grégoire / Haut, Terry / Barros, Kipton et al. | 2017
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Exchange functionals based on finite uniform electron gasesLoos, Pierre-François et al. | 2017
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Cooperative enhancement of the nonlinear optical response in conjugated energetic materials: A TD-DFT studySifain, Andrew E. / Tadesse, Loza F. / Bjorgaard, Josiah A. / Chavez, David E. / Prezhdo, Oleg V. / Scharff, R. Jason / Tretiak, Sergei et al. | 2017
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The effect of symmetry on the U L3 NEXAFS of octahedral coordinated uranium(vi)Bagus, Paul S. / Nelin, Connie J. / Ilton, Eugene S. et al. | 2017
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From the tunneling dimer to the onset of microsolvation: Infrared spectroscopy of allyl radical water aggregates in helium nanodropletsLeicht, Daniel / Kaufmann, Matin / Pal, Nitish / Schwaab, Gerhard / Havenith, Martina et al. | 2017
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On the non-exponentiality of the dielectric Debye-like relaxation of monoalcoholsArrese-Igor, S. / Alegría, A. / Colmenero, J. et al. | 2017
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Energy transfer in multi-collision environments; an experimental test of theory: LiH (10;2) in H2(0;0)Shen, Xiaoyan / Wang, Shuyin / Dai, Kang / Shen, Yifan / McCaffery, Anthony J. et al. | 2017
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Experimental and theoretical investigation of the vibrational band structure of the high-spin system of C2Bornhauser, P. / Visser, B. / Beck, M. / Knopp, G. / van Bokhoven, J. A. / Marquardt, R. / Radi, P. P. et al. | 2017
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Scanning tunneling microscopy study of thin PTCDI films on Ag/Si(111)-√3 × √3Emanuelsson, C. / Zhang, H. M. / Moons, E. / Johansson, L. S. O. et al. | 2017
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Multiscale simulations of anisotropic particles combining molecular dynamics and Green’s function reaction dynamicsVijaykumar, Adithya / Ouldridge, Thomas E. / ten Wolde, Pieter Rein / Bolhuis, Peter G. et al. | 2017
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Fast divide-and-conquer algorithm for evaluating polarization in classical force fieldsNocito, Dominique / Beran, Gregory J. O. et al. | 2017
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The attachment of -synuclein to a fiber: A coarse-grain approachIlie, Ioana M. / den Otter, Wouter K. / Briels, Wim J. et al. | 2017
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Symplectic time-average propagators for the Schrödinger equation with a time-dependent HamiltonianBlanes, Sergio / Casas, Fernando / Murua, Ander et al. | 2017
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Formation of coffee-stain patterns at the nanoscale: The role of nanoparticle solubility and solvent evaporation rateZhang, Jianguo / Milzetti, Jasmin / Leroy, Frédéric / Müller-Plathe, Florian et al. | 2017
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Wetting at the nanoscale: A molecular dynamics studyKhalkhali, Mohammad / Kazemi, Nasser / Zhang, Hao / Liu, Qingxia et al. | 2017
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Two-stage kinetics of field-induced aggregation of medium-sized magnetic nanoparticlesEzzaier, H. / Alves Marins, J. / Razvin, I. / Abbas, M. / Ben Haj Amara, A. / Zubarev, A. / Kuzhir, P. et al. | 2017
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On the origin of stretched exponential (Kohlrausch) relaxation kinetics in the room temperature luminescence decay of colloidal quantum dotsBodunov, E. N. / Antonov, Yu. A. / Simões Gamboa, A. L. et al. | 2017
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Experimental verification of the cluster model of CH3F-(ortho-H2)n in solid para-H2 by using mid-infrared pump-probe laser spectroscopyMiyamoto, Yuki / Mizoguchi, Asao / Kanamori, Hideto et al. | 2017
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Short-time dynamics and decay mechanism of 2(1H)-pyridinone upon excitation to the light-absorbing S4() stateZhang, Teng-Shuo / Xue, Jia-Dan / Zheng, Xuming / Xie, Bin-Bin / Fang, Wei-Hai et al. | 2017
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Thermal conductivity of the sideledge in aluminium electrolysis cells: Experiments and numerical modellingGheribi, Aïmen E. / Poncsák, Sándor / Guérard, Sébastien / Bilodeau, Jean-François / Kiss, László / Chartrand, Patrice et al. | 2017
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Intermolecular potential energy surface and thermophysical properties of propaneHellmann, Robert et al. | 2017
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Coexistence of low and high overlap phases in a supercooled liquid: An integral equation investigationBomont, Jean-Marc / Pastore, Giorgio / Hansen, Jean-Pierre et al. | 2017
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High-resolution electronic spectra of yttrium oxide (YO): The transitionZhang, Deping / Zhang, Qiang / Zhu, Boxing / Gu, Jingwang / Suo, Bingbing / Chen, Yang / Zhao, Dongfeng et al. | 2017
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The interaction of NO() with H2: Ab initio potential energy surfaces and bound statesKłos, Jacek / Ma, Qianli / Alexander, Millard H. / Dagdigian, Paul J. / 马千里 et al. | 2017
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Determination of bimetallic architectures in nanometer-scale catalysts by combining molecular dynamics simulations with x-ray absorption spectroscopyTimoshenko, Janis / Keller, Kayla R. / Frenkel, Anatoly I. et al. | 2017
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Reducing the number of mean-square deviation calculations with floating close structure in metadynamicsPazúriková, Jana / Křenek, Aleš / Spiwok, Vojtěch / Šimková, Mária et al. | 2017
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Communication: Calculations of the (2 × 1)-O reconstruction kinetics on Cu(110)Lian, Xin / Xiao, Penghao / Liu, Renlong / Henkelman, Graeme et al. | 2017
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Communication: Vibrational relaxation of CO(1Σ) in collision with Ar(1S) at temperatures relevant to the hypersonic flight regimeDenis-Alpizar, Otoniel / Bemish, Raymond J. / Meuwly, Markus et al. | 2017