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Results: 1-7 |
Results: 7
Ab initio molecular dynamics investigation of the formyl cation in the superacid SbF5/HF
Authors: Raugei, S Klein, ML
Citation: S. Raugei et Ml. Klein, Ab initio molecular dynamics investigation of the formyl cation in the superacid SbF5/HF, J PHYS CH B, 105(34), 2001, pp. 8212-8219
Car-Parrinello molecular dynamics of the S(N)2 reaction Cl-+Cl2CH2
Authors: Pagliai, M Raugei, S Cardini, G Schettino, V
Citation: M. Pagliai et al., Car-Parrinello molecular dynamics of the S(N)2 reaction Cl-+Cl2CH2, PHYS CHEM P, 3(22), 2001, pp. 4870-4873
Ab-initio molecular dynamics study of the S(N)2 reaction Cl-+ClCH2CN
Authors: Pagliai, M Raugei, S Cardini, G Schettino, V
Citation: M. Pagliai et al., Ab-initio molecular dynamics study of the S(N)2 reaction Cl-+ClCH2CN, PHYS CHEM P, 3(13), 2001, pp. 2559-2566
Microsolvation effect on chemical reactivity: The case of the Cl-+CH(3)BrS(N)2 reaction
Authors: Raugei, S Cardini, G Schettino, V
Citation: S. Raugei et al., Microsolvation effect on chemical reactivity: The case of the Cl-+CH(3)BrS(N)2 reaction, J CHEM PHYS, 114(9), 2001, pp. 4089-4098
Dynamics of water molecules in the Br- solvation shell: An ab initio molecular dynamics study
Authors: Raugei, S Klein, ML
Citation: S. Raugei et Ml. Klein, Dynamics of water molecules in the Br- solvation shell: An ab initio molecular dynamics study, J AM CHEM S, 123(38), 2001, pp. 9484-9485
Pressure-induced frustration and disorder in Mg(OH)(2) and Ca(OH)(2)
Authors: Raugei, S Silvestrelli, PL Parrinello, M
Citation: S. Raugei et al., Pressure-induced frustration and disorder in Mg(OH)(2) and Ca(OH)(2), PHYS REV L, 83(11), 1999, pp. 2222-2225
An ab initio molecular dynamics study of the S(N)2 reaction Cl-+CH3Br -> CH3Cl+Br-
Authors: Raugei, S Cardini, G Schettino, V
Citation: S. Raugei et al., An ab initio molecular dynamics study of the S(N)2 reaction Cl-+CH3Br -> CH3Cl+Br-, J CHEM PHYS, 111(24), 1999, pp. 10887-10894
Risultati: 1-7 |