Comparison of three empirical force fields for phonon calculations in CdSe quantum dots (English)
- New search for: Kelley, Anne Myers
- New search for: Kelley, Anne Myers
In:
The journal of chemical physics
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144
, 21
;
2016
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ISSN:
- Article (Journal) / Print
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Title:Comparison of three empirical force fields for phonon calculations in CdSe quantum dots
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Contributors:Kelley, Anne Myers ( author )
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Published in:The journal of chemical physics ; 144, 21
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Publisher:
- New search for: AIP
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Place of publication:Melville, NY
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Publication date:2016
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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
- 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 144, 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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Generalized quantum Fokker-Planck equation for photoinduced nonequilibrium processes with positive definiteness conditionJang, Seogjoo et al. | 2016
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Quantum dynamics of a vibronically coupled linear chain using a surrogate Hamiltonian approachLee, Myeong H. / Troisi, Alessandro et al. | 2016
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Communication: Proper use of broken-symmetry calculations in antiferromagnetic polyradicalsMalrieu, Jean-Paul / Trinquier, Georges et al. | 2016
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Growth and stability of rocksalt Zn1−xMgxO epilayers and ZnO/MgO superlattice on MgO (100) substrate by molecular beam epitaxyLu, C.-Y. James / Tu, Y.-T. / Yan, T. / Trampert, A. / Chang, L. / Ploog, K. H. et al. | 2016
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Explicit-water theory for the salt-specific effects and Hofmeister series in protein solutionsKalyuzhnyi, Yuriy V. / Vlachy, Vojko et al. | 2016
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Highly efficient and selective pressure-assisted photon-induced polymerization of styreneGuan, Jiwen / Song, Yang et al. | 2016
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The bond length and bond energy of gaseous CrWMatthew, Daniel J. / Oh, Sang Hoon / Sevy, Andrew / Morse, Michael D. et al. | 2016
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Density-functional description of polymer crystals: A comparative study of recent van der Waals functionalsPham, Thinh H. / Ramprasad, Rampi / Nguyen, Huy-Viet et al. | 2016
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Absolute molecular transition frequencies measured by three cavity-enhanced spectroscopy techniquesCygan, A. / Wójtewicz, S. / Kowzan, G. / Zaborowski, M. / Wcisło, P. / Nawrocki, J. / Krehlik, P. / Śliwczyński, Ł. / Lipiński, M. / Masłowski, P. et al. | 2016
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ωB97M-V: A combinatorially optimized, range-separated hybrid, meta-GGA density functional with VV10 nonlocal correlationMardirossian, Narbe / Head-Gordon, Martin et al. | 2016
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Reflection and extinction of light by self-assembled monolayers of a quinque-thiophene derivative: A coherent scattering approachGholamrezaie, Fatemeh / de Leeuw, Dago M. / Meskers, Stefan C. J. et al. | 2016
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Comparison of three empirical force fields for phonon calculations in CdSe quantum dotsKelley, Anne Myers et al. | 2016
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Geometry optimization made simple with translation and rotation coordinatesWang, Lee-Ping / Song, Chenchen et al. | 2016
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J-factors of short DNA moleculesZoli, Marco et al. | 2016
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Single-site Lennard-Jones models via polynomial chaos surrogates of Monte Carlo molecular simulationKadoura, Ahmad / Siripatana, Adil / Sun, Shuyu / Knio, Omar / Hoteit, Ibrahim et al. | 2016
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Erratum: “A search for manifestation of two types of collective excitations in dynamic structure of a liquid metal: Ab initio study of collective excitations in liquid Na” [J. Chem. Phys. 144, 194501 (2016)]Bryk, Taras / Wax, J.-F. et al. | 2016
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Hydrogen bonding and orientation effects on the accommodation of methylamine at the air-water interfaceHoehn, Ross D. / Carignano, Marcelo A. / Kais, Sabre / Zhu, Chongjing / Zhong, Jie / Zeng, Xiao C. / Francisco, Joseph S. / Gladich, Ivan et al. | 2016
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An efficient and numerically stable procedure for generating sextic force fields in normal mode coordinatesSibaev, M. / Crittenden, D. L. et al. | 2016
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Erratum: “Linear-scaling time-dependent density-functional theory beyond the Tamm-Dancoff approximation: Obtaining efficiency and accuracy with in situ optimised local orbitals” [J. Chem. Phys. 143, 204107 (2015)]Zuehlsdorff, T. J. / Hine, N. D. M. / Payne, M. C. / Haynes, P. D. et al. | 2016
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Bifurcation of transition paths induced by coupled bistable systemsTian, Chengzhe / Mitarai, Namiko et al. | 2016
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Separating the effects of repulsive and attractive forces on the phase diagram, interfacial, and critical properties of simple fluidsFuentes-Herrera, M. / Moreno-Razo, J. A. / Guzmán, O. / López-Lemus, J. / Ibarra-Tandi, B. et al. | 2016