J. Phys. Chem. C 2010, 114, 21891
21891
2008, Volume 112C Bertrand Busson* and Abderrahmane Tadjeddine: Chiral Specificity of Doubly Resonant Sum-Frequency Generation in An Anisotropic Thin Film Page 11813. On page 11816, eqs 7 and 8 are not correct. More precisely, the factors in the sums are correct, but some signs were mistaken. Here are the rectified equations (2) p p⊥ p (2) p⊥ p p (2) fp ) -Fp3Fp1Fp⊥ 2 χxxz - F3F1 F2χxzx + F3 F1F2χzxx + p⊥ p⊥ (2) Fp⊥ 3 F1 F2 χzzz p (2) s p p⊥ (2) fs ) -Fs3Fp⊥ 1 F2χyzx - F3F1F2 χyxz
(7) (8)
The changes in these equations have no incidence on the results and conclusions presented in the paper. 10.1021/jp110099k Published on Web 11/10/2010
2010, Volume 114C Hai-chao Guo, Fan Shi, Zheng-fei Ma*, and Xiao-qin Liu: Molecular Simulation for Adsorption and Separation of CH4/H2 in Zeolitic Imidazolate Frameworks Page 12158. In the original paper, there are two mistakes: 1. Table 2, as it appears in our original paper, contains a TABLE 2: LJ Potential Parameters for Gases and Frameworks in This Work force field type adsorbate framework22
23
CH4 H224 C H N O Zn Co
σ (Å)
ε/kB (K)
3.73 2.96 3.43 2.57 3.26 3.12 2.46 2.56
148 34.2 52.84 22.14 34.72 30.19 62.4 7.05
mistake; the Lennard-Jones (LJ) parameters of H2 are σ ) 2.96 Å and ε ) 34.2 K, not σ ) 2.59 Å and ε ) 12.5 K). Therefore, the correct table for the Lennard-Jones parameters is as follows. Because the simulations were carried out using the correct values, the mistakes that were contained in Table 2 do not affect the results presented in the paper. 2. In the References and Notes section, there is a mistake; the correct reference for #24 is as follows: Buch, V. J. Chem. Phys. 1994, 100, 7610. (not J. Phys. Chem.). 10.1021/jp110139d Published on Web 11/22/2010
