Accurate semiempirical potential energy curves for the a3+-state of NaCs, KCs, and RbCs (English)
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- New search for: Schwarzer, Michael
- New search for: Toennies, J. Peter
- New search for: Schwarzer, Michael
- New search for: Toennies, J. Peter
In:
The Journal of Chemical Physics
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154
, 15
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14
;
2021
- Article (Journal) / Electronic Resource
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Title:Accurate semiempirical potential energy curves for the a3+-state of NaCs, KCs, and RbCs
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Additional title:M. Schwarzer and J. P. Toennies
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Contributors:Schwarzer, Michael ( author ) / Toennies, J. Peter ( author )
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Published in:The Journal of Chemical Physics ; 154, 15 ; 14
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Publisher:
- New search for: AIP Publishing LLC
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Publication date:2021-04-21
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Size:14 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 154, Issue 15
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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Time-reversible and norm-conserving high-order integrators for the nonlinear time-dependent Schrödinger equation: Application to local control theoryRoulet, Julien / Vaníček, Jiří et al. | 2021
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From nanotubes to nanoholes: Scaling of selectivity in uniformly charged nanopores through the Dukhin number for 1:1 electrolytesSarkadi, Zsófia / Fertig, Dávid / Ható, Zoltán / Valiskó, Mónika / Boda, Dezső et al. | 2021
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Excited-state dynamics of [Mn(im)(CO)3(phen)]+: PhotoCORM, catalyst, luminescent probe?Fumanal, Maria / Daniel, Chantal / Gindensperger, Etienne et al. | 2021
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Effect of molecular Stokes shift on polariton dynamicsHulkko, E. / Pikker, S. / Tiainen, V. / Tichauer, R. H. / Groenhof, G. / Toppari, J. J. et al. | 2021
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Layer and spontaneous polarizations in perovskite oxides and their interplay in multiferroic bismuth ferriteSpaldin, Nicola A. / Efe, Ipek / Rossell, Marta D. / Gattinoni, Chiara et al. | 2021
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Water dynamics within nanostructured amphiphilic statistical copolymers from quasielastic neutron scatteringSepulveda-Medina, Pablo I. / Tyagi, Madhusudan / Wang, Chao / Vogt, Bryan D. et al. | 2021
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First-principle study of the structures, growth pattern, and properties of (Pt3Cu)n, n = 1–9, clustersGalindo-Uribe, Carlos Daniel / Calaminici, Patrizia / Cruz-Martínez, Heriberto / Cruz-Olvera, Domingo / Solorza-Feria, Omar et al. | 2021
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Quantum dynamics of Mn2+ in dimethylammonium magnesium formateOrio, M. / Bindra, J. K. / van Tol, J. / Giorgi, M. / Dalal, N. S. / Bertaina, S. et al. | 2021
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A quantum Langevin equation approach for two-dimensional electronic spectra of coupled vibrational and electronic dynamicsWong, Man Tou / Cheng, Yuan-Chung et al. | 2021
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Dynamical properties of different models of elastic polymer rings: Confirming the link between deformation and fragilityGnan, Nicoletta / Camerin, Fabrizio / Del Monte, Giovanni / Ninarello, Andrea / Zaccarelli, Emanuela et al. | 2021
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Tuning the permeability of regular polymeric networks by the cross-link ratioMilster, Sebastian / Kim, Won Kyu / Kanduč, Matej / Dzubiella, Joachim et al. | 2021
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Homogeneous water nucleation in carbon dioxide–nitrogen mixtures: Experimental study on pressure and carrier gas effectsCampagna, M. M. / Hrubý, J. / van Dongen, M. E. H. / Smeulders, D. M. J. et al. | 2021
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Phase-transition critical thickness of rocksalt MgxZn1xO layersDłużewski, Paweł / Domagala, Jaroslaw Z. / Kret, Sławomir / Jarosz, Dawid / Kryśko, Marcin / Teisseyre, Henryk et al. | 2021
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Illustration of a computational pipeline for evaluating cyclodextrin host–guest complex formation through conformational capture of bullvaleneShadfar, Zahra / Yahiaoui, Oussama / Collier, Thomas A. / Fallon, Thomas / Allison, Jane R. et al. | 2021
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Coupled cluster benchmarks of large noncovalent complexes: The L7 dataset as well as DNA–ellipticine and buckycatcher–fullereneBallesteros, Francisco / Dunivan, Shelbie / Lao, Ka Un et al. | 2021
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Phase separation in mixed suspensions of bacteria and nonadsorbing polymersPeters, V. F. D. / Vis, M. / Tuinier, R. / Lekkerkerker, H. N. W. et al. | 2021
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How real are liquid groundstates? Ultra-fast crystal growth and the susceptibility of energy minima in liquidsSun, Gang / Harrowell, Peter et al. | 2021
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Translational and reorientational dynamics in deep eutectic solventsReuter, D. / Münzner, P. / Gainaru, C. / Lunkenheimer, P. / Loidl, A. / Böhmer, R. et al. | 2021
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Smaller molecules crowd better: Crowder size dependence revealed by single-molecule FRET studies and depletion force modeling analysisSung, Hsuan-Lei / Sengupta, Abhigyan / Nesbitt, David et al. | 2021
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Wavepacket propagations for the early time dynamics of proton-coupled electron transfer in the charge-transfer state of NH3Cl complexAriyageadsakul, Pinit / Baeck, Kyoung Koo et al. | 2021
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Two-color two-dimensional terahertz spectroscopy: A new approach for exploring even-order nonlinearities in the nonperturbative regimeWoerner, Michael / Ghalgaoui, Ahmed / Reimann, Klaus / Elsaesser, Thomas et al. | 2021
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Experimental and theoretical study on p-aminophenylthyil radical geminate recombination in ionic liquids; analysis using the Smoluchowski–Collins–Kimball equationFujii, Kaori / Yagi, Tomoaki / Nakano, Hiroshi / Sato, Hirofumi / Kimura, Yoshifumi et al. | 2021
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Optimized effective potentials from the random-phase approximation: Accuracy of the quasiparticle approximationRiemelmoser, Stefan / Kaltak, Merzuk / Kresse, Georg et al. | 2021
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A hybrid topological and shape-matching approach for structure analysisGoswami, Amrita / Singh, Jayant K. et al. | 2021
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Anisotropy in fifth-order exciton–exciton-interaction two-dimensional spectroscopyLüttig, Julian / Brixner, Tobias / Malý, Pavel et al. | 2021
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Unitary coupled-cluster approach for the calculation of core-excited states and x-ray absorption spectraThielen, Sebastian M. / Hodecker, Manuel / Piazolo, Julia / Rehn, Dirk R. / Dreuw, Andreas et al. | 2021
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Analytical energy gradient for the second-order Møller–Plesset perturbation theory coupled with the reference interaction site model self-consistent field explicitly including spatial electron density distributionNegishi, Naoki / Yokogawa, Daisuke et al. | 2021
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Accurate semiempirical potential energy curves for the a3+-state of NaCs, KCs, and RbCsSchwarzer, Michael / Toennies, J. Peter et al. | 2021
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Vibration-mediated resonant charge separation across the donor–acceptor interface in an organic photovoltaic deviceHu, Ziyang / Xu, Ziyao / Chen, GuanHua et al. | 2021