Four-Component Relativistic Calculations in Solution with the Polarizable Continuum Model of Solvation: Theory, Implementation, and Application to the Group 16 Dihydrides H2X (X = O, S, Se, Te, Po) - Archive ouverte HAL
Journal Articles Journal of Physical Chemistry A Year : 2015

Four-Component Relativistic Calculations in Solution with the Polarizable Continuum Model of Solvation: Theory, Implementation, and Application to the Group 16 Dihydrides H2X (X = O, S, Se, Te, Po)

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https://hal.science/hal-01174465

Submitted on : Thursday, July 9, 2015-11:23:38 AM

Last modification on : Thursday, April 25, 2024-3:09:58 AM

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hal-01174465 , version 1 (09-07-2015)

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Roberto Di Remigio, Radovan Bast, Luca Frediani, Trond Saue. Four-Component Relativistic Calculations in Solution with the Polarizable Continuum Model of Solvation: Theory, Implementation, and Application to the Group 16 Dihydrides H2X (X = O, S, Se, Te, Po). Journal of Physical Chemistry A, 2015, 119 (21), pp.5061-5077. ⟨10.1021/jp507279y⟩. ⟨hal-01174465⟩

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