4D potential energy surface of NCCN–H2 collision: Rotational dynamics by p-H2 and o-H2 at interstellar temperatures (English)
- New search for: Kushwaha, Apoorv
- New search for: Dhilip Kumar, T. J.
- New search for: Kushwaha, Apoorv
- New search for: Dhilip Kumar, T. J.
In:
The Journal of Chemical Physics
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159
, 7
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11
;
2023
- Article (Journal) / Electronic Resource
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Title:4D potential energy surface of NCCN–H2 collision: Rotational dynamics by p-H2 and o-H2 at interstellar temperatures
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Additional title:A. Kushwaha and T. J. D. Kumar
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Contributors:Kushwaha, Apoorv ( author ) / Dhilip Kumar, T. J. ( author )
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Published in:The Journal of Chemical Physics ; 159, 7 ; 11
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Publisher:
- New search for: AIP Publishing LLC
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Publication date:2023-08-21
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Size:11 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 159, Issue 7
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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Extension of the iSoLF implicit-solvent coarse-grained model for multicomponent lipid bilayersUgarte La Torre, Diego / Takada, Shoji / Sugita, Yuji et al. | 2023
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Direct evidence on the crossover from BCC to FCC stability: A lattice-based aggregation-volume-bias Monte Carlo approach to polymorphismChen, Bin et al. | 2023
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Polarization consistent dielectric screening in polarizable continuum model calculations of solvation energiesKhatri, Roshan / Dunietz, Barry D. et al. | 2023
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Phase space perspective on a model for isomerization in an optical cavityMondal, Subhadip / Keshavamurthy, Srihari et al. | 2023
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Glass transition temperature of (ultra-)thin polymer filmsHsu, Hsiao-Ping / Kremer, Kurt et al. | 2023
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Determination of diffusivities in binary fluid mixtures with various Lewis numbers as well as positive and negative Soret coefficients by the shadowgraph methodWu, W. / Schmidt, P. S. / Piszko, M. / Giraudet, C. / Rausch, M. H. / Fröba, A. P. et al. | 2023
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Determining glass transition in all-atom acrylic polymeric melt simulations using machine learningBanerjee, Atreyee / Iscen, Aysenur / Kremer, Kurt / Kukharenko, Oleksandra et al. | 2023
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Optimizing molecular potential models by imposing kinetic constraints with path reweightingBolhuis, Peter G. / Brotzakis, Z. Faidon / Keller, Bettina G. et al. | 2023
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Quantized vortex nucleation in collisions of superfluid nanoscopic helium droplets at zero temperatureGarcía-Alfonso, Ernesto / Ancilotto, Francesco / Barranco, Manuel / Pi, Martí / Halberstadt, Nadine et al. | 2023
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Molecular dynamics simulation to reveal the transport mechanism of LiPF6 in ethylene carbonate + dimethylcarbonate binary solventKiyobayashi, Tetsu / Uchida, Satoshi / Ozaki, Hiroyuki / Kiyohara, Kenji et al. | 2023
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Developing machine-learned potentials to simultaneously capture the dynamics of excess protons and hydroxide ions in classical and path integral simulationsAtsango, Austin O. / Morawietz, Tobias / Marsalek, Ondrej / Markland, Thomas E. et al. | 2023
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An accurate and efficient fragmentation approach via the generalized many-body expansion for density matricesBallesteros, Francisco / Tan, Jake A. / Lao, Ka Un et al. | 2023
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Implementation of the meta-GGA exchange-correlation functional in numerical atomic orbital basis: With systematic testing on SCAN, rSCAN, and r2SCAN functionalsLiu, Renxi / Zheng, Daye / Liang, Xinyuan / Ren, Xinguo / Chen, Mohan / Li, Wenfei et al. | 2023
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Electronic-state chaos, intramolecular electronic energy redistribution, and chemical bonding in persisting multidimensional nonadiabatic systemsTakatsuka, Kazuo / Arasaki, Yasuki et al. | 2023
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The smallest PbS nanocrystals pervasively show decreased brightness, linked to surface-mediated decay on the average particleHasham, Minhal / Green, Philippe B. / Rahman, Samihat / Villanueva, Francisco Yarur / Imperiale, Christian J. / Kirshenbaum, Maxine J. / Wilson, Mark W. B. et al. | 2023
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Efficient approximation of molecular kinetics using random Fourier featuresNüske, Feliks / Klus, Stefan et al. | 2023
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Elucidating the conformational change and electronic absorption spectrum of p-dimethylamino-cinnamaldehyde merocyanine across different solvent polaritiesFranco, Leandro R. / Fonseca, Tertius L. / Coutinho, Kaline / Georg, Herbert C. et al. | 2023
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Coupling of orbital and spin polarizations to interatomic hopping in a helical atomic chainYatabe, Yuya / Akera, Hiroshi et al. | 2023
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Single-molecule tracking to determine the abundances and stoichiometries of freely-diffusing protein complexes in living cells: Past applications and future prospectsPrindle, Joshua Robert / de Cuba, Olivia Isabella Christiane / Gahlmann, Andreas et al. | 2023
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Stark control of multiphoton ionization through Freeman resonances in alkyl iodidesCasasús, Ignacio M. / Corrales, María E. / Murillo-Sánchez, Marta L. / Marggi Poullain, Sonia / de Oliveira, Nelson / Limão-Vieira, Paulo / Bañares, Luis et al. | 2023
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Surface science and liquid phase investigations of oxanorbornadiene/oxaquadricyclane ester derivatives as molecular solar thermal energy storage systems on Pt(111)Hemauer, Felix / Krappmann, Daniel / Schwaab, Valentin / Hussain, Zarah / Freiberger, Eva Marie / Waleska-Wellnhofer, Natalie J. / Franz, Evanie / Hampel, Frank / Brummel, Olaf / Libuda, Jörg et al. | 2023
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A temperature-dependent length-scale for transferable local density potentialsSzukalo, Ryan J. / Noid, W. G. et al. | 2023
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Optically detected magnetic resonance spectroscopic analyses on the role of magnetic ions in colloidal nanocrystalsDehnel, Joanna / Harchol, Adi / Barak, Yahel / Meir, Itay / Horani, Faris / Shapiro, Arthur / Strassberg, Rotem / de Mello Donegá, Celso / Demir, Hilmi Volkan / Gamelin, Daniel R. et al. | 2023
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A search for chiral asymmetry in secondary electron emission from cysteine induced by longitudinally polarized electronsAhrendsen, K. J. / Trantham, K. W. / Tupa, D. / Gay, T. J. et al. | 2023
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The physics of plasmon-driven energy conversionJain, Prashant K. / Kim, Zee Hwan / Wei, Wei David et al. | 2023
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First-principles property assessment of hybrid formate perovskitesPopoola, Abduljelili / Ghosh, P. S. / Kingsland, Maggie / Kashikar, Ravi / DeTellem, D. / Xu, Yixuan / Ma, S. / Witanachchi, S. / Lisenkov, S. / Ponomareva, I. et al. | 2023
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4D potential energy surface of NCCN–H2 collision: Rotational dynamics by p-H2 and o-H2 at interstellar temperaturesKushwaha, Apoorv / Dhilip Kumar, T. J. et al. | 2023
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Two-dimensional fluorescence excitation spectroscopy: A novel technique for monitoring excited-state photophysics of molecular species with high time and frequency resolutionYang, Jianmin / Gelin, Maxim F. / Chen, Lipeng / Šanda, František / Thyrhaug, Erling / Hauer, Jürgen et al. | 2023
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Machine learning classification can significantly reduce the cost of calculating the Hamiltonian matrix in CI calculationsQu, Chen / Houston, Paul L. / Yu, Qi / Conte, Riccardo / Pandey, Priyanka / Nandi, Apurba / Bowman, Joel M. et al. | 2023
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Theory of entangled two-photon emission/absorption [E2P-EA] between moleculesChiang, Tse-Min / Schatz, George C. et al. | 2023