Ion Pair Structures and Hydrogen Bonding in R n NH4–n Alkylammonium Ionic Liquids with Hydrogen Sulfate and Mesylate Anions by DFT Computations (Unknown)
- New search for: Fedorova, Irina V.
- Further information on Fedorova, Irina V.:
- https://orcid.org/0000-0002-0424-8498
- New search for: Safonova, Lyubov P.
- New search for: Fedorova, Irina V.
- Further information on Fedorova, Irina V.:
- https://orcid.org/0000-0002-0424-8498
- New search for: Safonova, Lyubov P.
In:
The Journal of Physical Chemistry A
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124
, 16
;
3170-3179
;
2020
- Article (Journal) / Electronic Resource
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Title:Ion Pair Structures and Hydrogen Bonding in R n NH4–n Alkylammonium Ionic Liquids with Hydrogen Sulfate and Mesylate Anions by DFT Computations
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Additional title:J. Phys. Chem. A
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Contributors:Fedorova, Irina V. ( author ) / Safonova, Lyubov P. ( author )
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Published in:The Journal of Physical Chemistry A ; 124, 16 ; 3170-3179
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Publisher:
- New search for: American Chemical Society
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Publication date:2020-04-23
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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 124, Issue 16
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.
- 3019
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Evolution of Radicals from the Photolysis of High Ionic Strength Alkaline Nitrite SolutionsWalter, Eric D. / Schwarz, Kaitlynn C. / Kumar, Shweta Anil / Chen, Ying / Sassi, Michel / Wang, Zheming / Rosso, Kevin M. et al. | 2020
- 3026
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Determination of the JP10 + OH → Product Reaction Rate with Measured Fuel Concentrations in Shock Tube ExperimentsZaczek, Luke T. / Davidson, David F. / Hanson, Ronald K. et al. | 2020
- 3031
-
Inter- and Intramolecular Vibrational Energy Flow in a Formamide–Water ComplexShin, H. K. et al. | 2020
- 3038
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Photochemistry of Amylene Double Bond in Clusters on Free Argon NanoparticlesPysanenko, Andriy / Gámez, Francisco / Fárník, Michal / Chalabala, Jan / Slavíček, Petr et al. | 2020
- 3048
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Proton Transfer vs Complex Formation Channels in Ionized Formic Acid Dimer: A Direct Ab Initio Molecular Dynamics StudyTachikawa, Hiroto et al. | 2020
- 3055
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Accurate First-Principles Calculation of the Vibronic Spectrum of Stacked Perylene Tetracarboxylic Acid DiimidesMukazhanova, Aliya / Trerayapiwat, Kasidet Jing / Mazaheripour, Amir / Wardrip, Austin G. / Frey, Nathan C. / Nguyen, Hung / Gorodetsky, Alon A. / Sharifzadeh, Sahar et al. | 2020
- 3064
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Anomalous pH-Dependent Enhancement of p‑Methyl Benzoic Acid Sum-Frequency Intensities: Cooperative Surface Adsorption EffectsAndino, Richard S. / Liu, Jian / Miller, Christina M. / Chen, Xin / Devlin, Shane W. / Hong, M. K. / Rajagopal, R. / Erramilli, S. / Ziegler, L. D. et al. | 2020
- 3077
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Quantitative Analysis of Infrared Spectra of Binary Alcohol + Cyclohexane Solutions with Quantum Chemical CalculationsBala, Aseel M. / Killian, William G. / Plascencia, Cesar / Storer, Jackson A. / Norfleet, Andrew T. / Peereboom, Lars / Jackson, James E. / Lira, Carl T. et al. | 2020
- 3090
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Threshold Collision-Induced Dissociation of Hydrated Thorium(IV) Trihydroxide Cation: Experimental and Theoretical Investigation of the Binding Energies for Th(OH)3 +(H2O) n Complexes (n = 1–4)Kafle, Arjun / Nwokolo, Chinye / Sanchez, Lauren / Armentrout, P. B. et al. | 2020
- 3101
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Bend-to-Break: Curvilinear Proton Transfer in Phenol-Ammonia ClustersSadhukhan, Debopriya / Hazra, Anirban / Patwari, G. Naresh et al. | 2020
- 3109
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Chemical Shift Tensors of Cimetidine Form A Modeled with Density Functional Theory Calculations: Implications for NMR CrystallographyHolmes, Sean T. / Engl, Olivia G. / Srnec, Matthew N. / Madura, Jeffry D. / Quiñones, Rosalynn / Harper, James K. / Schurko, Robert W. / Iuliucci, Robbie J. et al. | 2020
- 3120
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From Neutral Aniline to Aniline Trication: A Computational and Experimental StudyGutsev, G. L. / López Peña, H. A. / McPherson, S. L. / Boateng, D. Ampadu / Ramachandran, B. R. / Gutsev, L. G. / Tibbetts, K. M. et al. | 2020
- 3135
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Branching Ratios, Radiative Lifetimes, and Transition Dipole Moments for YbOHMengesha, Ephriem Tadesse / Le, Anh T. / Steimle, Timothy C. / Cheng, Lan / Zhang, Chaoqun / Augenbraun, Benjamin L. / Lasner, Zack / Doyle, John et al. | 2020
- 3149
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Nonmonotonous Lattice Distortion Model for Gas HydratesThakre, Niraj / Jana, Amiya K. et al. | 2020
- 3157
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Hyperfine Structure Constants on the Relativistic Coupled Cluster Level with Associated UncertaintiesHaase, Pi A. B. / Eliav, Ephraim / Iliaš, Miroslav / Borschevsky, Anastasia et al. | 2020
- 3170
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Ion Pair Structures and Hydrogen Bonding in R n NH4–n Alkylammonium Ionic Liquids with Hydrogen Sulfate and Mesylate Anions by DFT ComputationsFedorova, Irina V. / Safonova, Lyubov P. et al. | 2020
- 3180
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Bent Allenes or Di-1,3-betainesAn Answer Given on the Magnetic CriterionKleinpeter, Erich / Koch, Andreas et al. | 2020
- 3191
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Anharmonic Frequencies of (MO)2 and Related Hydrides for M = Mg, Al, Si, P, S, Ca, and Ti and Heuristics for Predicting Anharmonic Corrections of Inorganic OxidesWestbrook, Brent R. / Fortenberry, Ryan C. et al. | 2020
- 3205
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Theoretical Study of the Negative Ion Photoelectron Spectrum of Cyclooctatetraene via Computation of Franck–Condon FactorsChang, Jia-Lin / Cheng, Ming-Zhi / Huang, Yun-Jhu et al. | 2020
- 3214
-
Velocity-Map Imaging and Magnetic-Bottle Photoelectron Spectroscopy of [SeCCH]−: Electronic Properties and Spin–Orbit SplittingYuan, Qinqin / Cao, Wenjin / Hetzert, Marc / Ruschewitz, Uwe / Wang, Xue-Bin et al. | 2020
- 3220
-
Combined Experimental and Theoretical Studies on Electron Transfer in Potassium Collisions with CCl4Regeta, K. / Kumar, S. / Cunha, T. / Mendes, M. / Lozano, A. I. / Pereira, P. J. S. / García, G. / Moutinho, A. M. C. / Bacchus-Montabonel, M.-C. / Limão-Vieira, P. et al. | 2020
- 3228
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Induced Fit of Crown Cavity to Ammonium Ion Guests and Photoinduced Intracavity Reactions: Cold Gas-Phase Spectroscopy of Dibenzo-18-Crown‑6 Complexes with NH4 +, CH3NH3 +, and CH3CH2NH3 +Kubo, Mayuko / Kida, Motoki / Muramatsu, Satoru / Inokuchi, Yoshiya et al. | 2020
- 3242
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Potential Energy Surface for the CH4–H2 van der Waals InteractionSahnoun, Emna / Wiesenfeld, Laurent / Hammami, Kamel et al. | 2020
- 3249
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Adsorption of Organic Acids and Phosphate to an Iron (Oxyhydr)oxide Mineral: A Combined Experimental and Density Functional Theory StudyOhno, Tsutomu / Kubicki, James D. et al. | 2020
- 3261
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Glyoxylic Sulfuric Anhydride from the Gas-Phase Reaction between Glyoxylic Acid and SO3: A Potential Nucleation PrecursorRong, Hui / Liu, Ling / Liu, Jiarong / Zhang, Xiuhui et al. | 2020
- 3269
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Generalization of Langevin Dynamics from Spatio-Temporal Dressed Dynamics PerspectiveZhu, Kaicheng / Su, Haibin et al. | 2020
- 3276
-
Symmetry-Based Crystal Structure Enumeration in Two DimensionsPretti, Evan / Shen, Vincent K. / Mittal, Jeetain / Mahynski, Nathan A. et al. | 2020
- 3286
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Seeing Is Believing: Experimental Spin States from Machine Learning Model Structure PredictionsTaylor, Michael G. / Yang, Tzuhsiung / Lin, Sean / Nandy, Aditya / Janet, Jon Paul / Duan, Chenru / Kulik, Heather J. et al. | 2020
- 3300
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Comment on “Correct Symmetry Treatment for X + X Reactions Prevents Large Errors in Predicted Isotope Enrichment”Pollak, Eli / Pechukas, Philip et al. | 2020