论文信息 - Enthalpies of formation and stabilization energies of Br− (H2O)n (n=1,2, …, 15) clusters. Comparisons between molecular dynamics computer simulations and experiment - 字舞流文

Enthalpies of formation and stabilization energies of Br− (H2O)n (n=1,2, …, 15) clusters. Comparisons between molecular dynamics computer simulations and experiment

M. Berkowitz | L. Perera | L. Sremaniak

[1] Benoît Roux,et al. Non-additivity in cation—peptide interactions. A molecular dynamics and ab initio study of Na+ in the gramicidin channel , 1993 .

[2] M. Berkowitz,et al. Erratum: Many‐body effects in molecular dynamics simulations of Na+(H2O)n and Cl−(H2O)n clusters [J. Chem. Phys. 95, 1954 (1991)] , 1993 .

[3] M. Berkowitz,et al. Stabilization energies of Cl−, Br−, and I− ions in water clusters , 1993 .

[4] B. C. Garrett,et al. Photoelectron spectra of the hydrated iodine anion from molecular dynamics simulations , 1993 .

[5] G. Markovich,et al. Photoelectron spectroscopy of iodine anion solvated in water clusters , 1991 .

[6] M. Berkowitz,et al. Many-body effects in molecular dynamics simulations of Na +(H2O)n and Cl-(H2O) n clusters , 1991 .

[7] Peter A. Kollman,et al. Ion solvation in polarizable water: molecular dynamics simulations , 1991 .

[8] Shinichi Yamabe,et al. Solvation of halide ions with water and acetonitrile in the gas phase , 1988 .

[9] T. Straatsma,et al. THE MISSING TERM IN EFFECTIVE PAIR POTENTIALS , 1987 .

[10] W. L. Jorgensen,et al. Energy component analysis for dilute aqueous solutions of lithium(1+), sodium(1+), fluoride(1-), and chloride(1-) ions , 1984 .

[11] G. Ciccotti,et al. Numerical Integration of the Cartesian Equations of Motion of a System with Constraints: Molecular Dynamics of n-Alkanes , 1977 .