Conformational Changes in 5‑Methoxyindole: Effects of Thermal, Vibrational, and Electronic Excitations (Unknown)
- New search for: Lopes Jesus, A. J.
- New search for: Fausto, R.
- New search for: Reva, I.
- Further information on Reva, I.:
- https://orcid.org/0000-0001-5983-7743
- New search for: Lopes Jesus, A. J.
- New search for: Fausto, R.
- New search for: Reva, I.
- Further information on Reva, I.:
- https://orcid.org/0000-0001-5983-7743
In:
The Journal of Physical Chemistry A
;
121
, 18
;
3372-3382
;
2017
- Article (Journal) / Electronic Resource
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Title:Conformational Changes in 5‑Methoxyindole: Effects of Thermal, Vibrational, and Electronic Excitations
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Additional title:J. Phys. Chem. A
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Contributors:
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Published in:The Journal of Physical Chemistry A ; 121, 18 ; 3372-3382
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Publisher:
- New search for: American Chemical Society
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Publication date:2017-05-11
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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 121, Issue 18
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.
- 3327
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Multiphase Photochemistry of Pyruvic Acid under Atmospheric ConditionsReed Harris, Allison E. / Pajunoja, Aki / Cazaunau, Mathieu / Gratien, Aline / Pangui, Edouard / Monod, Anne / Griffith, Elizabeth C. / Virtanen, Annele / Doussin, Jean-Francois / Vaida, Veronica et al. | 2017
- 3340
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Theoretical Cross Sections of the Inelastic Fine Structure Transition M(2P1/2) + Ng ↔ M(2P3/2) + Ng for M = K, Rb, and Cs and Ng = He, Ne, and ArLewis, Charlton D. / Weeks, David E. et al. | 2017
- 3352
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Molecular Products and Fundamentally Based Reaction Pathways in the Gas-Phase Pyrolysis of the Lignin Model Compound p‑Coumaryl AlcoholAsatryan, Rubik / Bennadji, Hayat / Bozzelli, Joseph W. / Ruckenstein, Eli / Khachatryan, Lavrent et al. | 2017
- 3372
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Conformational Changes in 5‑Methoxyindole: Effects of Thermal, Vibrational, and Electronic ExcitationsLopes Jesus, A. J. / Fausto, R. / Reva, I. et al. | 2017
- 3383
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π‑Stacked Dimers of Fluorophenylacetylenes: Role of Dipole MomentMondal, Sohidul Islam / Sen, Saumik / Hazra, Anirban / Patwari, G. Naresh et al. | 2017
- 3392
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Experimental Evidence of Long-Range Intramolecular Vibrational Energy Redistribution through Eight Covalent Bonds: NIR Irradiation Induced Conformational Transformation of E‑Glutaconic AcidKovács, Benjámin / Kuş, Nihal / Tarczay, György / Fausto, Rui et al. | 2017
- 3401
-
Furfural: The Unimolecular Dissociative Photoionization Mechanism of the Simplest Furanic AldehydeWinfough, Matthew / Voronova, Krisztina / Muller, Giel / Laguisma, Gabrielle / Sztáray, Bálint / Bodi, Andras / Meloni, Giovanni et al. | 2017
- 3411
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Cooperativity in Alcohol–Nitrogen Complexes: Understanding Cryomatrices through Slit Jet ExpansionsOswald, Sönke / Wallrabe, Mareike / Suhm, Martin A. et al. | 2017
- 3423
-
Distinguishing Quinacridone Pigments via Terahertz Spectroscopy: Absorption Experiments and Solid-State Density Functional Theory SimulationsSquires, A. D. / Lewis, R. A. / Zaczek, Adam J. / Korter, Timothy M. et al. | 2017
- 3430
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Energy-Transfer Kinetics Driven by Midinfrared Amplified Spontaneous Emission after Two-Photon Excitation from Xe (s0) to the Xe (6p[1/2]0) StateHe, Shan / Guan, Yafu / Liu, Dong / Xia, Xusheng / Gai, Baodong / Hu, Shu / Guo, Jingwei / Sang, Fengting / Jin, Yuqi et al. | 2017
- 3437
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Correlations between Structure and Near-Infrared Spectra of Saturated and Unsaturated Carboxylic Acids. Insight from Anharmonic Density Functional Theory CalculationsGrabska, Justyna / Ishigaki, Mika / Beć, Krzysztof B. / Wójcik, Marek J. / Ozaki, Yukihiro et al. | 2017
- 3452
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Kinetic Energy Density as a Predictor of Hydrogen-Bonded OH-Stretching FrequenciesLane, Joseph R. / Hansen, Anne S. / Mackeprang, Kasper / Kjaergaard, Henrik G. et al. | 2017
- 3461
-
Reaction Mechanism of 4‑Chlorobiphenyl and the NO3 Radical: An Experimental and Theoretical StudyShi, Jin / Bi, Wenlong / Li, Shenmin / Dong, Wenbo / Chen, Jianmin et al. | 2017
- 3469
-
Economical Doubly Electron-Attached Equation-of-Motion Coupled-Cluster Methods with an Active-Space Treatment of Three-Particle–One-Hole and Four-Particle–Two-Hole ExcitationsAjala, Adeayo O. / Shen, Jun / Piecuch, Piotr et al. | 2017
- 3486
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Electronic and Structural Study of Zn x S x [x = 12, 16, 24, 28, 36, 48, 96, and 108] Cage StructuresBhusal, S. / Lopez, J.A. Rodriguez / Reveles, J. Ulises / Baruah, Tunna / Zope, Rajendra R. et al. | 2017
- 3494
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Toward the Mechanism of Perchlorinated Cyclopentasilane (Si5Cl10) Ring Flattening in the [Si5Cl10·2Cl]2– DianionPokhodnya, Konstantin / Anderson, Kenneth / Kilina, Svetlana / Boudjouk, Philip et al. | 2017
- 3501
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A Theoretical Study on Methane CH Bond Activation by Bare [FeO]+/0/–Wang, Yang / Sun, Xiaoli / Zhang, Jun / Li, Jilai et al. | 2017
- 3515
-
Density Functional Theory and Car–Parrinello Molecular Dynamics Study of the Hydrogen-Producing Mechanism of the Co(dmgBF2)2 and Co(dmgH)2 Cobaloxime Complexes in Acetonitrile–Water SolventChen, Jinfan / Sit, Patrick H.-L. et al. | 2017
- 3526
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NgMCp+: Noble Gas Bound Half-Sandwich Complexes (Ng = He–Rn, M = Be–Ba, and Cp = η5‑C5H5)Saha, Ranajit / Pan, Sudip / Chattaraj, Pratim K. et al. | 2017
- 3540
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Structure, Stability, and Electronic and Magnetic Properties of VGe n (n = 1–19) ClustersSiouani, C. / Mahtout, S. / Safer, S. / Rabilloud, F. et al. | 2017
- 3555
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Signature of Congregated Effects of Mechanical and Electrical Anharmonicities, Fermi Resonances, and Dampings on the IR Spectra of Hydrogen Bonded Systems: Quantum Dynamic StudyRekik, Najeh et al. | 2017
- 3567
-
The Exciting Chemistry of 1,1-Diamino-2,2-dinitroethene and 1‑Amino-1-hydrazino-2,2-dinitroetheneAxthammer, Quirin J. / Krumm, Burkhard / Klapötke, Thomas M. et al. | 2017
- 3580
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Visualization of Electron Paramagnetic Resonance Hyperfine Structure Coupling PathwaysMalkin, Vladimir G. / Malkina, Olga L. / Zhidomirov, Georgy M. et al. | 2017
- 3588
-
Relativistic ab Initio Accurate Atomic Minimal Basis Sets: Quantitative LUMOs and Oriented Quasi-Atomic Orbitals for the Elements Li–XeSchoendorff, George / West, Aaron C. / Schmidt, Michael W. / Ruedenberg, Klaus / Wilson, Angela K. / Gordon, Mark S. et al. | 2017
- 3598
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Systematic Study on Hydrated Arginine: Clear Theoretical Evidence for the Canonical-to-Zwitterionic Structure TransitionLi, Hongbao / Hu, Andong / Jiang, Jun / Luo, Yi et al. | 2017
- 3606
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Assembly of Effective Halide Receptors from Components. Comparing Hydrogen, Halogen, and Tetrel BondsScheiner, Steve et al. | 2017
- 3616
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Aromaticity of Nonplanar Fully Benzenoid HydrocarbonsAntić, Marija / Furtula, Boris / Radenković, Slavko et al. | 2017