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- [1] Investigation of spectrum shift of n→π* transition for acetone molecule by averaged solvent electrostatic Potential/Molecular dynamics methodCHEMICAL JOURNAL OF CHINESE UNIVERSITIES-CHINESE, 2008, 29 (02): : 369 - 373Du TaoZhu QuanShan Min-HuaLi Xiang-Yuan
- [2] Theoretical study of liquid hydrogen fluoride.: Application of the averaged solvent electrostatic potential/molecular dynamics methodJOURNAL OF PHYSICAL CHEMISTRY B, 2003, 107 (21) : 5043 - 5047Muñoz-Losa, AFdez-Galván, IMartín, MEAguilar, MA
- [3] An averaged solvent electrostatic potential/molecular dynamics study of the influence of the electron correlation on the properties of liquid hydrogen fluorideJOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 2003, 632 : 227 - 234Munoz-Losa, AFdez Galván, IMartín, MEAguilar, MA
- [4] An averaged solvent electrostatic potential from molecular dynamics study of the anomeric equilibrium of D-xylose in aqueous solutionTheoretical Chemistry Accounts, 2004, 111 : 196 - 203I. Fdez. GalvánF.J. Olivares del ValleM.E. MartínM.A. Aguilar
- [5] An averaged solvent electrostatic potential from molecular dynamics study of the anomeric equilibrium of D-xylose in aqueous solutionTHEORETICAL CHEMISTRY ACCOUNTS, 2004, 111 (2-6) : 196 - 203Galván, IFdel Valle, FJOMartín, MEAguilar, MA
- [6] Study on the conformational equilibrium of the alanine dipeptide in water solution by using the averaged solvent electrostatic potential from molecular dynamics methodologyJOURNAL OF CHEMICAL PHYSICS, 2011, 135 (19)Garcia-Prieto, Francisco F.Fdez Galvan, IgnacioAguilar, Manuel A.Elena Martin, M.