Zwitterionization of glycine in water environment: Stabilization mechanism and NMR spectral signatures (English)
- New search for: Valverde, Danillo
- New search for: da Costa Ludwig, Zélia Maria
- New search for: da Costa, Célia Regina
- New search for: Ludwig, Valdemir
- New search for: Georg, Herbert C.
- New search for: Valverde, Danillo
- New search for: da Costa Ludwig, Zélia Maria
- New search for: da Costa, Célia Regina
- New search for: Ludwig, Valdemir
- New search for: Georg, Herbert C.
In:
The Journal of Chemical Physics
;
148
, 2
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8
;
2018
- Article (Journal) / Electronic Resource
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Title:Zwitterionization of glycine in water environment: Stabilization mechanism and NMR spectral signatures
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Additional title:Valverde et al.
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Contributors:Valverde, Danillo ( author ) / da Costa Ludwig, Zélia Maria ( author ) / da Costa, Célia Regina ( author ) / Ludwig, Valdemir ( author ) / Georg, Herbert C. ( author )
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Published in:The Journal of Chemical Physics ; 148, 2 ; 8
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Publisher:
- New search for: AIP Publishing LLC
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Publication date:2018-01-14
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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 148, 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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Characterizing protein conformations by correlation analysis of coarse-grained contact matricesLindsay, Richard J. / Siess, Jan / Lohry, David P. / McGee, Trevor S. / Ritchie, Jordan S. / Johnson, Quentin R. / Shen, Tongye et al. | 2018
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Molecular dynamics based enhanced sampling of collective variables with very large time stepsChen, Pei-Yang / Tuckerman, Mark E. et al. | 2018
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Direct variational determination of the two-electron reduced density matrix for doubly occupied-configuration-interaction wave functions: The influence of three-index N-representability conditionsAlcoba, Diego R. / Torre, Alicia / Lain, Luis / Massaccesi, Gustavo E. / Oña, Ofelia B. / Honoré, Eduardo M. / Poelmans, Ward / Van Neck, Dimitri / Bultinck, Patrick / De Baerdemacker, Stijn et al. | 2018
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“Star” morphologies of charged nanodrops comprised of conformational isomersIn Oh, Myong / Paliy, Maxim / Consta, Styliani et al. | 2018
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Publisher’s Note: “The Landau-de Gennes approach revisited: A minimal self-consistent microscopic theory for spatially inhomogeneous nematic liquid crystals” [J. Chem. Phys. 147, 244505 (2017)]Gârlea, Ioana C. / Mulder, Bela M. et al. | 2018
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Effects of dispersion interactions on the structure, polarity, and dynamics of liquid-vapor interface of an aqueous NaCl solution: Results of first principles simulations at room temperatureRoy Choudhuri, Jyoti / Chandra, Amalendu et al. | 2018
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The effect of Pd ensemble structure on the O2 dissociation and CO oxidation mechanisms on Au—Pd(100) surface alloysOğuz, Ismail-Can / Mineva, Tzonka / Guesmi, Hazar et al. | 2018
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Role of non-equilibrium conformations on driven polymer translocationKatkar, H. H. / Muthukumar, M. et al. | 2018
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Erratum: “An automated nudged elastic band method” [J. Chem. Phys. 145, 094107 (2016)]Kolsbjerg, Esben L. / Groves, Michael N. / Hammer, Bjørk et al. | 2018
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Kinetic step-growth polymerization: A dissipative particle dynamics simulation studyXu, Dan / Ni, Chun-Yan / Zhu, You-Liang / Lu, Zhong-Yuan / Xue, Yao-Hong / Liu, Hong et al. | 2018
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On the mechanical stability of the body-centered cubic phase and the emergence of a metastable cI16 phase in classical hard sphere solidsWarshavsky, Vadim B. / Ford, David M. / Monson, Peter A. et al. | 2018
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Thermally induced charge current through long moleculesZimbovskaya, Natalya A. / Nitzan, Abraham et al. | 2018
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Interaction of C2H with molecular hydrogen: Ab initio potential energy surface and scattering calculationsDagdigian, Paul J. et al. | 2018
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Molecular dynamics investigation of water-exchange reactions on lanthanide ions in water/1-ethyl-3-methylimidazolium trifluoromethylsufate ([EMIm][OTf])Tu, Yi-Jung / Lin, Zhijin / Allen, Matthew J. / Cisneros, G. Andrés et al. | 2018
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Detection and characterization of the tin dihydride (SnH2 and SnD2) molecule in the gas phaseSmith, Tony C. / Clouthier, Dennis J. et al. | 2018
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Combining the ensemble and Franck-Condon approaches for calculating spectral shapes of molecules in solutionZuehlsdorff, T. J. / Isborn, C. M. et al. | 2018
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Classical molecular dynamics simulation of microwave heating of liquids: The case of waterAfify, N. D. / Sweatman, M. B. et al. | 2018
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Theoretical analysis of the domain-swapped dimerization of cytochrome c: An MD and 3D-RISM approachYoshida, Norio / Higashi, Masahiro / Motoki, Hideyoshi / Hirota, Shun et al. | 2018
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Non-iterative triple excitations in equation-of-motion coupled-cluster theory for electron attachment with applications to bound and temporary anionsJagau, Thomas-C. et al. | 2018
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Random sequential adsorption of cubesCieśla, Michał / Kubala, Piotr et al. | 2018
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Tensor-decomposed vibrational coupled-cluster theory: Enabling large-scale, highly accurate vibrational-structure calculationsMadsen, Niels Kristian / Godtliebsen, Ian H. / Losilla, Sergio A. / Christiansen, Ove et al. | 2018
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Diffusion-influenced reaction rates for active “sphere-prolate spheroid” pairs and Janus dimersTraytak, Sergey D. / Grebenkov, Denis S. et al. | 2018
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Perspective: Structural fluctuation of protein and Anfinsen’s thermodynamic hypothesisHirata, Fumio / Sugita, Masatake / Yoshida, Masasuke / Akasaka, Kazuyuki et al. | 2018
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Zwitterionization of glycine in water environment: Stabilization mechanism and NMR spectral signaturesValverde, Danillo / da Costa Ludwig, Zélia Maria / da Costa, Célia Regina / Ludwig, Valdemir / Georg, Herbert C. et al. | 2018
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Coarse-grained model of nanoscale segregation, water diffusion, and proton transport in Nafion membranesVishnyakov, Aleksey / Mao, Runfang / Lee, Ming-Tsung / Neimark, Alexander V. et al. | 2018
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Communication: Site-selective bond excision of adenine upon electron transferCunha, T. / Mendes, M. / Ferreira da Silva, F. / Eden, S. / García, G. / Limão-Vieira, P. et al. | 2018
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Femtosecond coherent nuclear dynamics of excited tetraphenylethylene: Ultrafast transient absorption and ultrafast Raman loss spectroscopic studiesKayal, Surajit / Roy, Khokan / Umapathy, Siva et al. | 2018
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Effects of cross-linking on partitioning of nanoparticles into a polymer brush: Coarse-grained simulations test simple approximate theoriesOzmaian, Masoumeh / Jasnow, David / Eskandari Nasrabad, Afshin / Zilman, Anton / Coalson, Rob D. et al. | 2018
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Hartree–Fock symmetry breaking around conical intersectionsJake, Lena C. / Henderson, Thomas M. / Scuseria, Gustavo E. et al. | 2018
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The influence of ion hydration on nucleation and growth of LiF crystals in aqueous solutionLanaro, G. / Patey, G. N. et al. | 2018
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Erratum: “Communication: Molecular near-infrared transitions determined with sub-kHz accuracy” [J. Chem. Phys. 147, 091103 (2017)]Wang, Jin / Sun, Yu R. / Tao, Lei-Gang / Liu, An-Wen / Hu, Shui-Ming / 王进 / 孙羽 / 陶雷刚 / 刘安雯 / 胡水明 et al. | 2018
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Uniform magnetic fields in density-functional theoryTellgren, Erik I. / Laestadius, Andre / Helgaker, Trygve / Kvaal, Simen / Teale, Andrew M. et al. | 2018
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Modelling the effect of acoustic waves on the thermodynamics and kinetics of phase transformation in a solution: Including mass transportationHaqshenas, S. R. / Ford, I. J. / Saffari, N. et al. | 2018
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Effects of system size and cooling rate on the structure and properties of sodium borosilicate glasses from molecular dynamics simulationsDeng, Lu / Du, Jincheng et al. | 2018
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Binding branched and linear DNA structures: From isolated clusters to fully bonded gelsFernandez-Castanon, J. / Bomboi, F. / Sciortino, F. et al. | 2018
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Diffusion of a particle in the spatially correlated exponential random energy landscape: Transition from normal to anomalous diffusionNovikov, S. V. et al. | 2018
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Accurate virial coefficients of gaseous krypton from state-of-the-art ab initio potential and polarizability of the krypton dimerSong, Bo / Waldrop, Jonathan M. / Wang, Xiaopo / Patkowski, Konrad et al. | 2018
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Molecular hydrodynamics: Vortex formation and sound wave propagationHan, Kyeong Hwan / Kim, Changho / Talkner, Peter / Karniadakis, George Em / Lee, Eok Kyun et al. | 2018
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Two-component Gaussian core model: Strong-coupling limit, Bjerrum pairs, and gas-liquid phase transitionFrydel, Derek / Levin, Yan et al. | 2018
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Exploration of near the origin and the asymptotic behaviors of the Kohn-Sham kinetic energy density for two-dimensional quantum dot systems with parabolic confinementJana, Subrata / Samal, Prasanjit et al. | 2018