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Theoretical Chemistry Accounts
23
2018
2
"The role of explicit solvent molecules in the calculation of NMR chemical shifts of glycine in water" (2018) Caputo, M.C.; Provasi, P.F.; Sauer, S.P.A. Theoretical Chemistry Accounts. 137(7)
"QM–MM Ehrenfest dynamics from first principles: photodissociation of diazirine in aqueous solution" (2018) Ramírez, F.; Díaz Mirón, G.; González Lebrero, M.C.; Scherlis, D.A. Theoretical Chemistry Accounts. 137(9)