Citation: B. Safi et al., Quantum chemical study of the thermodynamic and kinetic aspects of the S(N)2 reaction in gas phase and solution using a DFT interpretation, J PHYS CH A, 105(3), 2001, pp. 591-601
Authors:
Damoun, S
Van de Woude, G
Choho, K
Geerlings, P
Citation: S. Damoun et al., Influence of alkylating reagent softness on the regioselectivity in enolate ion alkylation: A theoretical local hard and soft acids and bases study, J PHYS CH A, 103(39), 1999, pp. 7861-7866
Authors:
Roy, RK
Choho, K
De Proft, F
Geerlings, P
Citation: Rk. Roy et al., Reactivity and stability of aromatic carbonyl compounds using density functional theory-based local and global reactivity descriptors, J PHYS ORG, 12(6), 1999, pp. 503-509
Authors:
Safi, B
Choho, K
De Proft, F
Geerlings, P
Citation: B. Safi et al., Theoretical study of the basicity of alkyl amines in vacuo and in different solvents: a density functional theory approach, CHEM P LETT, 300(1-2), 1999, pp. 85-92