Ab initio dynamics of the He + H₂⁺ → HeH⁺ + H reaction: potential energy surface and quantum mechanical cross-sections

By Palmieri P.   Puzzarini C.   Aquilanti V.   Capecchi G.   Cavalli S.   De Fazio D.   Aguilar A.   Giménez X.   Lucas J. M.  

Molecular Physics, Vol. 98, Iss. 21, 2000-11 ,pp. : 1835-1849

Taylor & Francis Ltd

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Coupled ab initio potential energy surfaces for the two lowest ²A' electronic states of the C₂H molecule

By Boggio-Pasqua M.   Voronin A. I.   Halvick P. H.   Rayez J.-C.   Varandas A. J. C.  

Molecular Physics, Vol. 98, Iss. 23, 2000-12 ,pp. : 1925-1938

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An ab initio potential energy surface for the C₂H₂–N₂ system

By Thibault Franck   Vieuxmaire Olivier   Sizun Thibaut   Bussery–Honvault Béatrice  

Molecular Physics, Vol. 110, Iss. 21-22, 2012-11 ,pp. : 2761-2771

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Molecule-doped rare gas clusters: structure and stability of Ar_nNO(X² Pi_{1/2, 3/2}), n is less than or equal to 25, from new ab initio potential energy surfaces of ArNO

By Naumkin F. Y.   Wales D. J.  

Molecular Physics, Vol. 98, Iss. 4, 2000-02 ,pp. : 219-229

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Ab initio study on stacking sequences, free energy, dynamical stability and potential energy surfaces of graphite structures

By Anees P   Chandra Sharat   Panigrahi B K   Valsakumar M C  

Modelling and Simulation in Materials Science and Engineering, Vol. 22, Iss. 3, 2014-04 ,pp. : 35016-35029

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