Comparative study of local structure of two cyanobiphenyl liquid crystals by molecular dynamics method (English)
- New search for: Gerts, Egor D.
- New search for: Komolkin, Andrei V.
- New search for: Burmistrov, Vladimir A.
- New search for: Alexandriysky, Victor V.
- New search for: Dvinskikh, Sergey V.
- New search for: Gerts, Egor D.
- New search for: Komolkin, Andrei V.
- New search for: Burmistrov, Vladimir A.
- New search for: Alexandriysky, Victor V.
- New search for: Dvinskikh, Sergey V.
In:
The Journal of Chemical Physics
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141
, 7
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7
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2014
- Article (Journal) / Electronic Resource
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Title:Comparative study of local structure of two cyanobiphenyl liquid crystals by molecular dynamics method
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Contributors:Gerts, Egor D. ( author ) / Komolkin, Andrei V. ( author ) / Burmistrov, Vladimir A. ( author ) / Alexandriysky, Victor V. ( author ) / Dvinskikh, Sergey V. ( author )
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Published in:The Journal of Chemical Physics ; 141, 7 ; 7
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Publisher:
- New search for: American Institute of Physics
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Publication date:2014-08-21
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Size:7 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 141, Issue 7
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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Rotationally adiabatic pair interactions of para- and ortho-hydrogen with the halogen molecules F2, Cl2, and Br2Berg, Matthias / Accardi, Antonio / Paulus, Beate / Schmidt, Burkhard et al. | 2014
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Low-temperature collisional quenching of NO A2Σ+(v′ = 0) by NO(X2Π) and O2 between 34 and 109 KSánchez-González, R. / Eveland, W. D. / West, N. A. / Mai, C. L. N. / Bowersox, R. D. W. / North, S. W. et al. | 2014
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Rare event molecular dynamics simulations of plasma induced surface ablationSharia, Onise / Holzgrafe, Jeffrey / Park, Nayoung / Henkelman, Graeme et al. | 2014
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Intrinsic correlations between dynamic heterogeneity and conformational transition in polymers during glass transitionNie, Yijing / Ye, Xubo / Zhou, Zhiping / Yang, Wenming / Tao, Lu et al. | 2014
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Understanding electrofreezing in water simulationsYan, J. Y. / Overduin, S. D. / Patey, G. N. et al. | 2014
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Effect of hydrophobic mismatch on domain formation and peptide sorting in the multicomponent lipid bilayers in the presence of immobilized peptidesLiang, Qing / Wu, Qing-Yan / Wang, Zhi-Yong et al. | 2014
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Communication: Optimal parameters for basin-hopping global optimization based on Tsallis statisticsShang, C. / Wales, D. J. et al. | 2014
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Improving the efficiency of configurational-bias Monte Carlo: A density-guided method for generating bending angle trials for linear and branched moleculesSepehri, Aliasghar / Loeffler, Troy D. / Chen, Bin et al. | 2014
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Bézier curve string method for the study of rare events in complex chemical systemsBellucci, Michael A. / Trout, Bernhardt L. et al. | 2014
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Analytical models of calcium binding in a calcium channelLiu, Jinn-Liang / Eisenberg, Bob et al. | 2014
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Communication: Nanoscale ion fluctuations in Nafion polymer electrolyteRumberger, Brant / Bennett, Mackenzie / Zhang, Jingyun / Dura, J. A. / Israeloff, N. E. et al. | 2014
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Density cumulant functional theory from a unitary transformation: N-representability, three-particle correlation effects, and application to ${\rm O}_4^+$Sokolov, Alexander Yu. / Schaefer, Henry F. / Kutzelnigg, Werner et al. | 2014
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Electronic structures and water reactivity of mixed metal sulfide cluster anionsSaha, Arjun / Raghavachari, Krishnan et al. | 2014
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Potential of mean force analysis of the self-association of leucine-rich transmembrane α-helices: Difference between atomistic and coarse-grained simulationsNishizawa, Manami / Nishizawa, Kazuhisa et al. | 2014
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Publisher's Note: “The stability of S-states of unit-charge Coulomb three-body systems: From H− to H2+” [J. Chem. Phys. 139, 224306 (2013)]King, Andrew W. / Longford, Frank / Cox, Hazel et al. | 2014
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Equation of motion coupled cluster methods for electron attachment and ionization potential in fullerenes C60 and C70Bhaskaran-Nair, Kiran / Kowalski, Karol / Moreno, Juana / Jarrell, Mark / Shelton, William A. et al. | 2014
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Relaxation dynamics in quantum dissipative systems: The microscopic effect of intramolecular vibrational energy redistributionUranga-Piña, L. / Tremblay, J. C. et al. | 2014
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Disjoining pressure of an electrolyte film confined between semipermeable membranesMaduar, Salim R. / Vinogradova, Olga I. et al. | 2014
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Autocorrelation study of the Θ transition for a coarse-grained polymer modelQi, Kai / Bachmann, Michael et al. | 2014
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Frequency-domain stimulated and spontaneous light emission signals at molecular junctionsHarbola, Upendra / Agarwalla, Bijay Kumar / Mukamel, Shaul et al. | 2014
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A coarse-grained method based on the analysis of short molecular dynamics trajectories for the simulation of non-Markovian dynamics of molecules adsorbed in microporous materialsPintus, Alberto M. / Gabrieli, Andrea / Pazzona, Federico G. / Demontis, Pierfranco / Suffritti, Giuseppe B. et al. | 2014
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Velocity-changing collisions in pure H2 and H2-Ar mixtureWcisło, P. / Tran, H. / Kassi, S. / Campargue, A. / Thibault, F. / Ciuryło, R. et al. | 2014
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Guanidine and guanidinium cation in the excited state—theoretical investigationAntol, Ivana / Glasovac, Zoran / Crespo-Otero, Rachel / Barbatti, Mario et al. | 2014
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Water permeability of nanoporous graphene at realistic pressures for reverse osmosis desalinationCohen-Tanugi, David / Grossman, Jeffrey C. et al. | 2014
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Communication: Superstabilization of fluids in nanocontainersWilhelmsen, Øivind / Bedeaux, Dick / Kjelstrup, Signe / Reguera, David et al. | 2014
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Non-oscillatory flux correlation functions for efficient nonadiabatic rate theoryRichardson, Jeremy O. / Thoss, Michael et al. | 2014
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Perturbational treatment of spin-orbit coupling for generally applicable high-level multi-reference methodsMai, Sebastian / Müller, Thomas / Plasser, Felix / Marquetand, Philipp / Lischka, Hans / González, Leticia et al. | 2014
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Excitation energies, photoionization cross sections, and asymmetry parameters of the methyl and silyl radicalsVelasco, A. M. / Lavín, C. / Dolgounitcheva, O. / Ortiz, J. V. et al. | 2014
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Change in entropy in thermal hysteresis of liquid-glass-liquid transition and consequences of violating the Clausius theoremTombari, Elpidio / Johari, G. P. et al. | 2014
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Comparative study of local structure of two cyanobiphenyl liquid crystals by molecular dynamics methodGerts, Egor D. / Komolkin, Andrei V. / Burmistrov, Vladimir A. / Alexandriysky, Victor V. / Dvinskikh, Sergey V. et al. | 2014
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Solute-solvent cavity and bridge functions. I. Varying size of the soluteVyalov, I. / Chuev, G. / Georgi, N. et al. | 2014
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Effect of cation species on surface-induced phase transition observed for platinum complex anions in platinum electrodeposition using nanoporous siliconKoda, Ryo / Koyama, Akira / Fukami, Kazuhiro / Nishi, Naoya / Sakka, Tetsuo / Abe, Takeshi / Kitada, Atsushi / Murase, Kuniaki / Kinoshita, Masahiro et al. | 2014
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Contact angle hysteresis on superhydrophobic stripesDubov, Alexander L. / Mourran, Ahmed / Möller, Martin / Vinogradova, Olga I. et al. | 2014
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Fluctuating hydrodynamics of multicomponent membranes with embedded proteinsCamley, Brian A. / Brown, Frank L. H. et al. | 2014
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UV absorption spectrum of the C2 Criegee intermediate CH3CHOOSmith, Mica C. / Ting, Wei-Lun / Chang, Chun-Hung / Takahashi, Kaito / Boering, Kristie A. / Lin, Jim Jr-Min et al. | 2014
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Behavior of supercooled aqueous solutions stemming from hidden liquid–liquid transition in waterBiddle, John W. / Holten, Vincent / Anisimov, Mikhail A. et al. | 2014
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Wertheim and Bjerrum-Tani-Henderson theories for associating fluids: A critical assessmentFantoni, Riccardo / Pastore, Giorgio et al. | 2014
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Relating polarizability to volume, ionization energy, electronegativity, hardness, moments of momentum, and other molecular propertiesBlair, Shamus A. / Thakkar, Ajit J. et al. | 2014
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The role of the CN vibration in the activated dynamics of LiNC$\rightleftharpoons$LiCN isomerization in an argon solvent at high temperaturesGarcia-Muller, Pablo L. / Hernandez, Rigoberto / Benito, R. M. / Borondo, F. et al. | 2014
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First-principles studies on graphene-supported transition metal clustersSahoo, Sanjubala / Gruner, Markus E. / Khanna, Shiv N. / Entel, Peter et al. | 2014
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Critical properties of the Ziff, Gulari, and Barshad (ZGB) model with inert sitesHoenicke, G. L. / de Andrade, M. F. / Figueiredo, W. et al. | 2014
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Structure and dynamics of confined flexible and unentangled polymer melts in highly adsorbing cylindrical poresCarrillo, Jan-Michael Y. / Sumpter, Bobby G. et al. | 2014
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Efficient calculation of rate constants: Downhill versus uphill samplingKlenin, Konstantin V. et al. | 2014
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Optimizing the performance of the entropic splitter for particle separationMotz, T. / Schmid, G. / Hänggi, P. / Reguera, D. / Rubí, J. M. et al. | 2014
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Signatures of a conical intersection in photofragment distributions and absorption spectra: Photodissociation in the Hartley band of ozonePicconi, David / Grebenshchikov, Sergy Yu. et al. | 2014
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An experimental and theoretical investigation into the excited electronic states of phenolJones, D. B. / da Silva, G. B. / Neves, R. F. C. / Duque, H. V. / Chiari, L. / de Oliveira, E. M. / Lopes, M. C. A. / da Costa, R. F. / Varella, M. T. do N. / Bettega, M. H. F. et al. | 2014
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Rotational mode specificity in the Cl + CHD3 → HCl + CD3 reactionLiu, Rui / Wang, Fengyan / Jiang, Bin / Czakó, Gábor / Yang, Minghui / Liu, Kopin / Guo, Hua et al. | 2014
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Non-adiabatic processes in the charge transfer reaction of O2 molecules with potassium surfaces without dissociationKrix, David / Nienhaus, Hermann et al. | 2014
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Publisher's Note: “High pressure study of molecular dynamics of protic ionic liquid lidocaine hydrochloride” [J. Chem. Phys. 136, 224501 (2012)]Swiety-Pospiech, A. / Wojnarowska, Z. / Pionteck, J. / Pawlus, S. / Grzybowski, A. / Hensel-Bielowka, S. / Grzybowska, K. / Szulc, A. / Paluch, M. et al. | 2014
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Imaging of hydrogen halides photochemistry on argon and ice nanoparticlesPoterya, V. / Lengyel, J. / Pysanenko, A. / Svrčková, P. / Fárník, M. et al. | 2014
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Intermolecular polarizabilities in H2-rare-gas mixtures (H2–He, Ne, Ar, Kr, Xe): Insight from collisional isotropic spectral propertiesGłaz, Waldemar / Bancewicz, Tadeusz / Godet, Jean-Luc / Gustafsson, Magnus / Maroulis, George / Haskopoulos, Anastasios et al. | 2014
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Microscopic theory of singlet exciton fission. III. Crystalline pentaceneBerkelbach, Timothy C. / Hybertsen, Mark S. / Reichman, David R. et al. | 2014
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Testing several recent van der Waals density functionals for layered structuresBjörkman, Torbjörn et al. | 2014
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Deformation propagation in responsive polymer network filmsGhosh, Surya K. / Cherstvy, Andrey G. / Metzler, Ralf et al. | 2014