화학공학소재연구정보센터
검색결과 : 10건
No. Article
1 How Does Dielectric Solvation Affect the Size of an Ion?
do Couto PC, Chipman DM
Journal of Physical Chemistry A, 114(48), 12788, 2010
2 Photochemistry of AgCl-water clusters: Comparison with Cl--water clusters
Godinho SSMC, do Couto PC, Cabral BJC
Chemical Physics Letters, 419(4-6), 340, 2006
3 The enthalpy of formation of the pentane-2,4-dionate radical: A complete basis set approach
do Couto PC, Cabral BJC, Simoes JAM
Chemical Physics Letters, 419(4-6), 486, 2006
4 S-H bond dissociation enthalpies: The importance of a complete basis set approach
do Couto PC, Cabral BJC, Simoes JAM
Chemical Physics Letters, 421(4-6), 504, 2006
5 Electron binding energies of water clusters: Implications for the electronic properties of liquid water
do Couto PC, Cabral BJC, Canuto S
Chemical Physics Letters, 429(1-3), 129, 2006
6 An all-atom force field for metallocenes
Lopes JNC, do Couto PC, da Piedade MEM
Journal of Physical Chemistry A, 110(51), 13850, 2006
7 Charge separation and charge transfer to solvent in NaCl-water clusters
Godinho SSMC, do Couto PC, Cabral BJC
Chemical Physics Letters, 399(1-3), 200, 2004
8 Energetics of intramolecular hydrogen bonding in di-substituted benzenes by the ortho-para method
Estacio SG, do Couto PC, Cabral BJC, da Piedade MEM, Simoes JAM
Journal of Physical Chemistry A, 108(49), 10834, 2004
9 Binding energy, structure, and vibrational spectra of (HCl)(2-6) and (HF)(2-10) clusters by density functional theory
Guedes RC, do Couto PC, Cabral BJC
Journal of Chemical Physics, 118(3), 1272, 2003
10 The hydration of the OH radical: Microsolvation modeling and statistical mechanics simulation
do Couto PC, Guedes RC, Cabral BJC, Simoes JAM
Journal of Chemical Physics, 119(14), 7344, 2003