Ab initio prediction of the infrared absorption spectrum of the C 2 Br radical

By Tarroni Riccardo   Carter§ Stuart  

Molecular Physics, Vol. 104, Iss. 18, 2006-09 ,pp. : 2821-2828

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Is the Ar-Br2(X1Sigma+g van der Waals complex linear rather than T-shaped? A study in terms of ab initio based potential energy surfaces

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An ab initio study of ground and excited states of NeH + , NeH and linear asymmetric NeH 2 +

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Molecular Physics, Vol. 30, Iss. 2, 1975-08 ,pp. : 437-455

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Experimental and ab initio structure of BrNO 2

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Ab initio-based PES extrapolated using transferable atom-atom potentials, and predicted MW spectrum of the Ar-O₂(X ³Σ_g⁻) complex

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Molecular Physics, Vol. 102, Iss. 1, 2004-01 ,pp. : 37-45

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