Electronic Structure and Vibrational Mode Study of Nafion Membrane Interfacial Water Interactions (Unknown)
- New search for: Kabrane, Joseph
- New search for: Aquino, Adelia J. A.
- New search for: Kabrane, Joseph
- New search for: Aquino, Adelia J. A.
In:
The Journal of Physical Chemistry A
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119
, 9
;
1754-1764
;
2015
- Article (Journal) / Electronic Resource
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Title:Electronic Structure and Vibrational Mode Study of Nafion Membrane Interfacial Water Interactions
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Additional title:J. Phys. Chem. A
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Contributors:Kabrane, Joseph ( author ) / Aquino, Adelia J. A. ( author )
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Published in:The Journal of Physical Chemistry A ; 119, 9 ; 1754-1764
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Publisher:
- New search for: American Chemical Society
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Publication date:2015-03-05
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ISSN:
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Coden:
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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:Unknown
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Source:
Table of contents – Volume 119, Issue 9
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.
- 1443
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Preface: 25th Austin Symposium on Molecular Structure and DynamicsCremer, Dieter / Kraka, Elfi et al. | 2015
- 1446
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Generalized Valence Bond Description of Chalcogen–Nitrogen Compounds. I. NS, F(NS), and H(NS)Takeshita, Tyler Y. / Dunning, Thom H. et al. | 2015
- 1456
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Generalized Valence Bond Description of Chalcogen–Nitrogen Compounds. II. NO, F(NO), and H(NO)Takeshita, Tyler Y. / Dunning, Thom H. et al. | 2015
- 1464
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Microwave Measurements of the Spectra and Molecular Structure for the Monoenolic Tautomer of 1,2- CyclohexanedionePejlovas, Aaron M. / Barfield, Michael / Kukolich, Stephen G. et al. | 2015
- 1469
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Efficient Calculation of the Rotational g Tensor from Auxiliary Density Functional TheoryZuniga-Gutierrez, Bernardo / Camacho-Gonzalez, Monica / Simon-Bastida, Patricia / Bendana-Castillo, Alfonso / Calaminici, Patrizia / Köster, Andreas M. et al. | 2015
- 1478
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Infrared and Raman Spectra, Theoretical Calculations, Conformations, and Two-Dimensional Potential Energy Surface of 2‑Cyclopenten-1-one Ethylene KetalSheu, Hong-Li / Meinander, Niklas / Laane, Jaan et al. | 2015
- 1486
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Accurate Equilibrium Structures for Piperidine and CyclohexaneDemaison, Jean / Craig, Norman C. / Groner, Peter / Écija, Patricia / Cocinero, Emilio J. / Lesarri, Alberto / Rudolph, Heinz Dieter et al. | 2015
- 1494
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Transition-State Searches in Metal Clusters by First-Principle MethodsCruz-Olvera, Domingo / de la Trinidad Vasquez, Alejandra / Geudtner, Gerald / Vásquez-Pérez, José Manuel / Calaminici, Patrizia / Köster, Andreas M. et al. | 2015
- 1502
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Structures and Intriguing Conformational Behavior of 1- and 2‑Naphthalenesulfonamides As Determined by Gas-Phase Electron Diffraction and Computational MethodsGiricheva, Nina I. / Petrov, Vjacheslav M. / Dakkouri, Marwan / Oberhammer, Heinz / Petrova, Valentina N. / Shlykov, Sergey A. / Ivanov, Sergey N. / Girichev, Georgiy V. et al. | 2015
- 1511
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Multiple Environment Single System Quantum Mechanical/Molecular Mechanical (MESS-QM/MM) Calculations. 1. Estimation of Polarization EnergiesSodt, Alexander J. / Mei, Ye / König, Gerhard / Tao, Peng / Steele, Ryan P. / Brooks, Bernard R. / Shao, Yihan et al. | 2015
- 1524
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Conformational Properties of Ethyl- and 2,2,2-Trifluoroethyl Thionitrites, (CX3CH2SNO, X = H and F)Cánneva, Antonela / Della Védova, Carlos O. / Mitzel, Norbert W. / Erben, Mauricio F. et al. | 2015
- 1534
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Bond Angles around a Tetravalent AtomBohn, Robert K. / Allen, Wesley D. et al. | 2015
- 1539
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Dielectric and Terahertz Spectroscopy of Polarizable and Nonpolarizable Water Models: A Comparative StudySega, M. / Schröder, C. et al. | 2015
- 1548
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Use of Density Functional Theory Orbitals in the GVVPT2 Variant of Second-Order Multistate Multireference Perturbation TheoryHoffmann, Mark R. / Helgaker, Trygve et al. | 2015
- 1554
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Lipid Regulated Conformational Dynamics of the Longin SNARE Protein Ykt6 Revealed by Molecular Dynamics SimulationsWeng, Jingwei / Yang, Yanhong / Wang, Wenning et al. | 2015
- 1563
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Molecular Structure and Conformations of 1,2-Dimethoxycyclobutene-3,4-dione. An Electron-Diffraction Investigation Augmented by Quantum Mechanical and Normal Coordinate CalculationsCostello, Luke L. / Hedberg, Lise / Hedberg, Kenneth et al. | 2015
- 1568
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Gas-Phase Electronic Transitions of C17H12N+ at 15 KHardy, F.-X. / Rice, C. A. / Gause, O. / Maier, J. P. et al. | 2015
- 1573
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Conformation Dynamics and Polarization Effect of α,α-Trehalose in a Vacuum and in Aqueous and Salt SolutionsKan, Zigui / Yan, Xiufen / Ma, Jing et al. | 2015
- 1590
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Error Accumulations in Adhesive Energies of Dihydrogen Molecular Chains: Performances of the XYG3 Type of Doubly Hybrid Density FunctionalsSu, Neil Qiang / Xu, Xin et al. | 2015
- 1600
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Molecular Structure of 1,2-Bis(trifluoromethyl)-1,1,2,2-tetramethyldisilane in the Gas, Liquid, and Solid Phases: Unusual Conformational Changes between PhasesMasters, Sarah L. / Robertson, Heather E. / Wann, Derek A. / Hölbling, Margit / Hassler, Karl / Bjornsson, Ragnar / Wallevik, Sunna Ó. / Arnason, Ingvar et al. | 2015
- 1609
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Self-Assembly of Phenylalanine-Based MoleculesGerman, Helen W. / Uyaver, Sahin / Hansmann, Ulrich H. E. et al. | 2015
- 1616
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Nonempirical Anharmonic Vibrational Perturbation Theory Applied to Biomolecules: Free-Base PorphinKrasnoshchekov, Sergey V. / Stepanov, Nikolay F. et al. | 2015
- 1628
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Hydrogen Abstraction from the Hydrazine Molecule by an Oxygen AtomSpada, Rene F. K. / Ferrão, Luiz F. A. / Rocha, Roberta J. / Iha, Koshun / Rocco, José A. F. F. / Roberto-Neto, Orlando / Lischka, Hans / Machado, Francisco B. C. et al. | 2015
- 1636
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Reaction of a Fluorine Atom with Methanol: Potential Energy Surface ConsiderationsFeng, Hao / Randall, Katherine R. / Schaefer, Henry F. et al. | 2015
- 1642
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Strength of the Pnicogen Bond in Complexes Involving Group Va Elements N, P, and AsSetiawan, Dani / Kraka, Elfi / Cremer, Dieter et al. | 2015
- 1657
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Electron Diffraction Analysis for the Molecules with Multiple Large-Amplitude Motions. 3‑NitrostyreneA Molecule with Two Internal RotorsKovtun, Dmitry M. / Kochikov, Igor V. / Tarasov, Yury I. et al. | 2015
- 1666
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11,11-Dimethyl-1,6-methano[10]annuleneAn Annulene with an Ultralong CC Bond or a Fluxional Molecule?Humason, Alan / Zou, Wenli / Cremer, Dieter et al. | 2015
- 1683
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Ground and Excited Electronic State Analysis of PrF2+ and PmF2+Schoendorff, George / Chi, Benjamin / Ajieren, Hans / Wilson, Angela K. et al. | 2015
- 1689
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Identifying Key Residues for Protein Allostery through Rigid Residue ScanKalescky, Robert / Liu, Jin / Tao, Peng et al. | 2015
- 1701
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Frequency and Zero-Point Vibrational Energy Scale Factors for Double-Hybrid Density Functionals (and Other Selected Methods): Can Anharmonic Force Fields Be Avoided?Kesharwani, Manoj K. / Brauer, Brina / Martin, Jan M. L. et al. | 2015
- 1715
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Symmetry Laws Improve Electronegativity Equalization by Orders of Magnitude and Call for a Paradigm Shift in Conceptual Density Functional Theoryvon Szentpály, László et al. | 2015
- 1723
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Molecular Docking via Olefinic OH···π Interactions: A Bulky Alkene Model System and Its CooperativityMedel, Robert / Heger, Matthias / Suhm, Martin A. et al. | 2015
- 1731
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Equilibrium Structures of Three‑, Four‑, Five‑, Six-, and Seven-Membered Unsaturated N‑Containing HeterocyclesCsászár, Attila G. / Demaison, Jean / Rudolph, Heinz Dieter et al. | 2015
- 1747
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Opening Access to New Chiral Macrocycles: From Allenes to SpiranesCastro-Fernández, Silvia / Cid, María Magdalena / López, Carlos Silva / Alonso-Gómez, José Lorenzo et al. | 2015
- 1754
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Electronic Structure and Vibrational Mode Study of Nafion Membrane Interfacial Water InteractionsKabrane, Joseph / Aquino, Adelia J. A. et al. | 2015
- 1765
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Impact of Sub-Doppler Measurements on Centrifugal-Distortion Terms: Rotational Spectrum of Methyl Fluoride RevisitedCazzoli, Gabriele / Puzzarini, Cristina et al. | 2015
- 1774
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Molecular Structure and Internal Rotation of CF3 Group of Methyl Trifluoroacetate: Gas Electron Diffraction, Microwave Spectroscopy, and Quantum Chemical Calculation StudiesKuze, Nobuhiko / Ishikawa, Atsushi / Kono, Maho / Kobayashi, Takayuki / Fuchisawa, Noriyuki / Tsuji, Takemasa / Takeuchi, Hiroshi et al. | 2015
- 1787
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Absorption and Fluorescence Spectra of Poly(p‑phenylenevinylene) (PPV) Oligomers: An ab Initio SimulationCardozo, Thiago M. / Aquino, Adélia J. A. / Barbatti, Mario / Borges, Itamar / Lischka, Hans et al. | 2015