Rotational spectra of two six-membered heterocyclic N-methyl-piperidinol compounds: Conformations by OH rotation, N-methyl inversion, and ring puckering (English)
- New search for: Thomas, Javix
- New search for: Mariona, Eric
- New search for: Xu, Yunjie
- New search for: Thomas, Javix
- New search for: Mariona, Eric
- New search for: Xu, Yunjie
In:
The Journal of Chemical Physics
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146
, 10
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8
;
2017
- Article (Journal) / Electronic Resource
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Title:Rotational spectra of two six-membered heterocyclic N-methyl-piperidinol compounds: Conformations by OH rotation, N-methyl inversion, and ring puckering
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Additional title:Thomas, Mariona, and Xu
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Contributors:
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Published in:The Journal of Chemical Physics ; 146, 10 ; 8
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Publisher:
- New search for: AIP Publishing LLC
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Publication date:2017-03-14
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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 146, Issue 10
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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A novel quantum dynamical approach in electron microscopy combining wave-packet propagation with Bohmian trajectoriesRudinsky, S. / Sanz, A. S. / Gauvin, R. et al. | 2017
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Acetonitrile cluster solvation in a cryogenic ethane-methane-propane liquid: Implications for Titan lake chemistryCorrales, L. René / Yi, Thomas D. / Trumbo, Samantha K. / Shalloway, David / Lunine, Jonathan I. / Usher, David A. et al. | 2017
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Exact exchange with non-orthogonal generalized Wannier functionsMountjoy, Jeff / Todd, Michelle / Mosey, Nicholas J. et al. | 2017
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Analytic energy gradient of projected Hartree–Fock within projection after variationUejima, Motoyuki / Ten-no, Seiichiro et al. | 2017
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Local environment structure and dynamics of CO2 in the 1-ethyl-3-methylimidazolium bis(trifluoromethanesulfonyl)imide and related ionic liquidsLourenço, Tuanan C. / Aparicio, Santiago / Costa, Gabriela C. / Costa, Luciano T. et al. | 2017
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The nature of the chemical bond in BeO0,−, BeOBe+,0,−, and in their hydrogenated products HBeO0,−, BeOH, HBeOH, BeOBeH+,0,−, and HBeOBeHKalemos, Apostolos et al. | 2017
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Time-resolved observation of interatomic excitation-energy transfer in argon dimersMizuno, Tomoya / Cörlin, Philipp / Miteva, Tsveta / Gokhberg, Kirill / Kuleff, Alexander / Cederbaum, Lorenz S. / Pfeifer, Thomas / Fischer, Andreas / Moshammer, Robert et al. | 2017
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Theoretical volume profiles for conformational changes: Application to internal rotation of benzene ring in 1,12-dimethoxy-[12]-paracyclophaneWiebe, Heather / Louwerse, Miranda / Weinberg, Noham et al. | 2017
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Near infrared overtone (vOH = 2 0) spectroscopy of Ne–H2O clustersZiemkiewicz, Michael P. / Pluetzer, Christian / Wojcik, Michael / Loreau, Jérôme / van der Avoird, Ad / Nesbitt, David J. et al. | 2017
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Experimental studies of the NaCs 12(0+) [71Σ+] state: Spin-orbit and non-adiabatic interactions and quantum interference in the 12(0+) [71Σ+] and 11(0+) emission spectraFaust, C. / Jones, J. / Huennekens, J. / Field, R. W. et al. | 2017
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Announcement: Top reviewers for The Journal of Chemical Physics 2016| 2017
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Predicting transport regime and local electrostatic environment from Coulomb blockade diamond sizesOlsen, Stine T. / Hansen, Thorsten / Mikkelsen, Kurt V. et al. | 2017
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Laser induced white emission generated by infrared excitation from Eu3+:Sr2CeO4 nanocrystalsStefanski, M. / Lukaszewicz, M. / Hreniak, D. / Strek, W. et al. | 2017
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The cage effect in systems of hard spheresvan Megen, W. / Schöpe, H. J. et al. | 2017
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Caesium hydride: MS-CASPT2 potential energy curves and absorption/emission spectroscopyŠkoviera, Ján / Neogrády, Pavel / Louis, Florent / Pitoňák, Michal / Černušák, Ivan et al. | 2017
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Significance of symmetry in the nuclear spin Hamiltonian for efficient heteronuclear dipolar decoupling in solid-state NMR: A Floquet description of supercycled rCW schemesEqubal, Asif / Shankar, Ravi / Leskes, Michal / Vega, Shimon / Nielsen, Niels Chr. / Madhu, P. K. et al. | 2017
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Communication: Nonadditive dielectric susceptibility spectra of associating liquidsBierwirth, S. P. / Münzner, P. / Knapp, T. A. / Gainaru, C. / Böhmer, R. et al. | 2017
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Rotational spectra of two six-membered heterocyclic N-methyl-piperidinol compounds: Conformations by OH rotation, N-methyl inversion, and ring puckeringThomas, Javix / Mariona, Eric / Xu, Yunjie et al. | 2017
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Does fragility of glass formation determine the strength of Tg-nanoconfinement effects?Mangalara, Jayachandra Hari / Marvin, Michael D. / Wiener, Nicholas R. / Mackura, Mark E. / Simmons, David S. et al. | 2017
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Photoswitching of azobenzene-containing self-assembled monolayers as a tool for control over silicon surface electronic propertiesMalyar, Ivan V. / Titov, Evgenii / Lomadze, Nino / Saalfrank, Peter / Santer, Svetlana et al. | 2017
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Erratum: “Membrane curvature generated by asymmetric depletion layers of ions, small molecules, and nanoparticles” [J. Chem. Phys. 145, 074117 (2016)]Różycki, Bartosz / Lipowsky, Reinhard et al. | 2017
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FCS experiments to quantify Ca2+ diffusion and its interaction with buffersSigaut, Lorena / Villarruel, Cecilia / Ponce Dawson, Silvina et al. | 2017
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Incremental full configuration interactionZimmerman, Paul M. et al. | 2017
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Explaining the photoelectron spectrum: Rationalization of geometric and electronic structureThompson, Lee M. / Jarrold, Caroline C. / Hratchian, Hrant P. et al. | 2017
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Temperature fluctuations and the thermodynamic determination of the cooperativity length in glass forming liquidsChua, Y. Z. / Zorn, R. / Holderer, O. / Schmelzer, J. W. P. / Schick, C. / Donth, E. et al. | 2017
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Spontaneous polarization of vapor-deposited 1-butanol films and its dependence on temperatureGavra, Irini K. / Pilidi, Alexandra N. / Tsekouras, Athanassios A. et al. | 2017
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Colloid-polymer mixtures under slit confinementPérez-Ramírez, Allan / Figueroa-Gerstenmaier, Susana / Odriozola, Gerardo et al. | 2017
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Membrane stress profiles from self-consistent field theoryTing, Christina L. / Müller, Marcus et al. | 2017
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Localization of open-shell molecular orbitals via least change from fragments to moleculeLi, Hongyang / Liu, Wenjian / Suo, Bingbing et al. | 2017
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First-principles electrostatic potentials for reliable alignment at interfaces and defectsSundararaman, Ravishankar / Ping, Yuan et al. | 2017
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Influence of growing conditions on the reactivity of Ni supported graphene towards COCelasco, E. / Carraro, G. / Smerieri, M. / Savio, L. / Rocca, M. / Vattuone, L. et al. | 2017
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Nonclassical dynamics of the methyl group in 1,1,1-triphenylethane. Evidence from powder 1H NMR spectraOsior, Agnieszka / Kalicki, Przemysław / Kamieński, Bohdan / Szymański, Sławomir / Bernatowicz, Piotr / Shkurenko, Aleksander et al. | 2017
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Using monomer vibrational wavefunctions as contracted basis functions to compute rovibrational levels of an H2O-atom complex in full dimensionalityWang, Xiao-Gang / Carrington, Tucker et al. | 2017
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Magnetic gaps in organic tri-radicals: From a simple model to accurate estimatesBarone, Vincenzo / Cacelli, Ivo / Ferretti, Alessandro / Prampolini, Giacomo et al. | 2017
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1H–2H cross-polarization NMR in fast spinning solids by adiabatic sweepsWi, Sungsool / Schurko, Robert / Frydman, Lucio et al. | 2017
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Characterization of the hydrogen-bond network of water around sucrose and trehalose: Microwave and terahertz spectroscopic studyShiraga, Keiichiro / Adachi, Aya / Nakamura, Masahito / Tajima, Takuro / Ajito, Katsuhiro / Ogawa, Yuichi et al. | 2017
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Computer simulations of the diffusion of Na+ and Cl− ions across POPC lipid bilayer membranesSalih, Rangeen / Matthai, C. C. et al. | 2017
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Quartic scaling MP2 for solids: A highly parallelized algorithm in the plane wave basisSchäfer, Tobias / Ramberger, Benjamin / Kresse, Georg et al. | 2017