A model-free temperature-dependent conformational study of n-pentane in nematic liquid crystals (English)
- New search for: Weber, A.C.J
- New search for: Weber, A.C.J
- New search for: Dong, R.Y
- New search for: Meerts, W.L
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In:
The journal of chemical physics
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142
, 2
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2015
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ISSN:
- Article (Journal) / Print
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Title:A model-free temperature-dependent conformational study of n-pentane in nematic liquid crystals
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Contributors:
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Published in:The journal of chemical physics ; 142, 2
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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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DOI:
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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
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Keywords:
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Classification:
BKL: 35.10 Physikalische Chemie: Allgemeines -
Source:
Table of contents – Volume 142, Issue 2
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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Theoretical study of thorium monoxide for the electron electric dipole moment search: Electronic properties of H3Δ1 in ThOSkripnikov, L. V. / Titov, A. V. et al. | 2015
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New XDM-corrected potential energy surfaces for Ar–NO(X2Π): A comparison with CCSD(T) calculations and experimentsWarehime, Michael / Johnson, Erin R. / Kłos, Jacek et al. | 2015
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Enhanced magnetism of Cun clusters capped with N and endohedrally doped with CrDatta, Soumendu / Banerjee, Radhashyam / Mookerjee, Abhijit et al. | 2015
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Nudged-elastic band method with two climbing images: finding transition states in complex energy landscapesZarkevich, Nikolai A et al. | 2015
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Investigation of the nanoviscosity effect of a G-quadruplex and single-strand DNA using fluorescence correlation spectroscopyLee, Dongkeun / Kim, Minjung / Kim, Soo Yong / Shin, Hyosup / Kim, Sok Won / Park, Inho et al. | 2015
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The electronic states of TeH+: A theoretical contributionGonçalves dos Santos, Levi / de Oliveira-Filho, Antonio Gustavo S. / Ornellas, Fernando R. et al. | 2015
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Unexpected methyl migrations of ethanol dimer under synchrotron VUV radiationXiao, Weizhan / Hu, Yongjun / Li, Weixing / Guan, Jiwen / Liu, Fuyi / Shan, Xiaobin / Sheng, Liusi et al. | 2015
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Probing the early stages of salt nucleation—Experimental and theoretical investigations of sodium/potassium thiocyanate cluster anionsDeng, S. H. M. / Kong, Xiang-Yu / Wang, Xue-Bin et al. | 2015
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Multi-scale modelling of uranyl chloride solutionsNguyen, Thanh-Nghi / Duvail, Magali / Villard, Arnaud / Molina, John Jairo / Guilbaud, Philippe / Dufrêche, Jean-François et al. | 2015
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A first principles approach to the electronic properties of liquid and supercritical CO2Cabral, Benedito J. Costa / Rivelino, Roberto / Coutinho, Kaline / Canuto, Sylvio et al. | 2015
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Experimental evidence for an optical interference model for vibrational sum frequency generation on multilayer organic thin film systems. I. Electric dipole approximationO’Brien, Daniel B. / Massari, Aaron M. et al. | 2015
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On performance measures for infinite swapping Monte Carlo methodsDoll, J. D. / Dupuis, Paul et al. | 2015
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A model-free temperature-dependent conformational study of n-pentane in nematic liquid crystalsBurnell, E. Elliott / Weber, Adrian C. J. / Dong, Ronald Y. / Meerts, W. Leo / de Lange, Cornelis A. et al. | 2015
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Brownian dynamics simulations of coagulation of dilute uniform and anisotropic particles under shear flow spanning low to high Peclet numbersMohammadi, Maziar / Larson, Eric D. / Liu, Jun / Larson, Ronald G. et al. | 2015
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A pure-sampling quantum Monte Carlo algorithmOspadov, Egor / Rothstein, Stuart M. et al. | 2015
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Flexible confinement leads to multiple relaxation regimes in glassy colloidal liquidsWilliams, Ian / Oğuz, Erdal C. / Bartlett, Paul / Löwen, Hartmut / Patrick Royall, C. et al. | 2015
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The shapes of simple three and four junction comb polymersvon Ferber, Christian / Bishop, Marvin / Forzaglia, Thomas / Reid, Cooper / Zajac, Gregory et al. | 2015
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Effect of Hartree-Fock exact exchange on intramolecular magnetic coupling constants of organic diradicalsCho, Daeheum / Ko, Kyoung Chul / Ikabata, Yasuhiro / Wakayama, Kazufumi / Yoshikawa, Takeshi / Nakai, Hiromi / Lee, Jin Yong et al. | 2015
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Tensor decomposition techniques in the solution of vibrational coupled cluster response theory eigenvalue equationsGodtliebsen, Ian H. / Hansen, Mads Bøttger / Christiansen, Ove et al. | 2015
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Communication: Generalization of Koopmans’ theorem to optical transitions in the Hubbard model of graphene nanodotsSheng, Weidong / Luo, Kaikai / Zhou, Aiping et al. | 2015
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On the influence of polarization effects in predicting the interfacial structure and capacitance of graphene-like electrodes in ionic liquidsPaek, Eunsu / Pak, Alexander J. / Hwang, Gyeong S. et al. | 2015
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Nudged-elastic band method with two climbing images: Finding transition states in complex energy landscapes a)Zarkevich, Nikolai A. / Johnson, Duane D. et al. | 2015
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Three-dimensional potential energy surface of Ar–COSumiyoshi, Yoshihiro / Endo, Yasuki et al. | 2015
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Direct observation of methyl rotor and vib-rotor states of S0 toluene: A revised torsional barrier due to torsion-vibration couplingGascooke, Jason R. / Virgo, Edwina A. / Lawrance, Warren D. et al. | 2015
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Half-metallic properties, single-spin negative differential resistance, and large single-spin Seebeck effects induced by chemical doping in zigzag-edged graphene nanoribbonsYang, Xi-Feng / Zhou, Wen-Qian / Hong, Xue-Kun / Liu, Yu-Shen / Wang, Xue-Feng / Feng, Jin-Fu et al. | 2015
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A general non-Abelian density matrix renormalization group algorithm with application to the C2 dimerSharma, Sandeep et al. | 2015
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Restricted Hartree Fock using complex-valued orbitals: A long-known but neglected tool in electronic structure theorySmall, David W. / Sundstrom, Eric J. / Head-Gordon, Martin et al. | 2015
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Thermal equilibrium properties of surface hopping with an implicit Langevin bathSherman, M. C. / Corcelli, S. A. et al. | 2015
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Orbital line-up at poly[2-methoxy-5-(2′-ethylhexyloxy)-p-phenylene vinylene] (MEH-PPV)/poly(3-hexylthiophene) (P3HT) heterojunctionWang, Wenfeng / Schlaf, Rudy et al. | 2015
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Communication: Theoretical prediction of free-energy landscapes for complex self-assemblyJacobs, William M. / Reinhardt, Aleks / Frenkel, Daan et al. | 2015
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Configuration interaction singles natural orbitals: An orbital basis for an efficient and size intensive multireference description of electronic excited statesShu, Yinan / Hohenstein, Edward G. / Levine, Benjamin G. et al. | 2015
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Critical island-size, stability, and morphology of 2D colloidal Au nanoparticle islandsHubartt, Bradley C. / Amar, Jacques G. et al. | 2015
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Nonperturbative spin–boson and spin–spin dynamics and nonlinear Fano interferences: A unified dissipaton theory based studyZhang, Hou-Dao / Xu, Rui-Xue / Zheng, Xiao / Yan, YiJing et al. | 2015
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Structural evolution of small ruthenium cluster anionsWaldt, Eugen / Hehn, Anna-Sophia / Ahlrichs, Reinhart / Kappes, Manfred M. / Schooss, Detlef et al. | 2015
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Solvatochromism of 9,10-phenanthrenequinone: An electronic and resonance Raman spectroscopic studyRavi Kumar, Venkatraman / Rajkumar, Nagappan / Umapathy, Siva et al. | 2015
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Near edge X-ray absorption mass spectrometry on coroneneReitsma, G. / Boschman, L. / Deuzeman, M. J. / Hoekstra, S. / Hoekstra, R. / Schlathölter, T. et al. | 2015
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Accurate spectroscopy of polycyclic aromatic compounds: From the rotational spectrum of fluoren-9-one in the millimeter wave region to its infrared spectrumMaris, Assimo / Calabrese, Camilla / Melandri, Sonia / Blanco, Susana et al. | 2015
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The nature of interfaces and charge trapping sites in photocatalytic mixed-phase TiO2 from first principles modelingGarcia, Juan C. / Nolan, Michael / Deskins, N. Aaron et al. | 2015
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