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Publisher : oxford university press (oup) Subject : astrophysics Subject : computational physics (physics.comp-ph) Filter by : Subject

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Searching for stable fullerenes in space with computational chemistry

Authors : Viktor N. Staroverov; Jan Cami; Heather MacIsaac

Subjects: Astrochemistry; Fullerene; Infrared

Source: Monthly Notices of the RAS (0035-8711), 485(1), 1137-1146

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Localized orbital scaling correction for systematic elimination of delocalization error in density functional approximations

Authors : Weitao Yang; Xiao Zheng; Chen Li

Subjects: Electron density; Band gap; FOS: Physical sciences

Source: National Science Review. 5:203-215

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The interstellar formation and spectra of the noble gas, proton-bound HeHHe+, HeHNe+ and HeHAr+ complexes

Authors : Cody J. Stephan; Ryan C. Fortenberry

Subjects: Astrochemistry; Proton; Helium atom

Source: Monthly Notices of the Royal Astronomical Society. 469:339-346

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Hyperfine excitation of N2H+ by H2: towards a revision of N2H+ abundance in cold molecular clouds

Authors : Fabien Daniel; Laurent Pagani; François Lique ...

Subjects: molecular data; Interstellar cloud; Ab initio

Source: Monthly Notices of the Royal Astronomical SocietyMonthly Notices of the Royal Astronomical Society, Oxford University Press (OUP): Policy P-Oxford Open Option A,

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Fast and Stable Method for Simulating Quantum Electron Dynamics

Authors : Naoki Watanabe; Masaru Tsukada

Subjects: Chemical Physics (physics.chem-ph); Physics; Physics and Astronomy (miscellaneous)

Source: Progress of Theoretical Physics Supplement. 138:115-116

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