화학공학소재연구정보센터
검색결과 : 4건
No. Article
1 Energetics of Atmospherically Implicated Clusters Made of Sulfuric Acid, Ammonia, and Dimethyl Amine
Leverentz HR, Siepmann JI, Truhlar DG, Loukonen V, Vehkamaki H
Journal of Physical Chemistry A, 117(18), 3819, 2013
2 Water 16-mers and Hexamers: Assessment of the Three-Body and Electrostatically Embedded Many-Body Approximations of the Correlation Energy or the Nonlocal Energy As Ways to Include Cooperative Effects
Qi HW, Leverentz HR, Truhlar DG
Journal of Physical Chemistry A, 117(21), 4486, 2013
3 Assessment of the accuracy of density functionals for prediction of relative energies and geometries of low-lying isomers of water hexamers
Dahlke EE, Olson RM, Leverentz HR, Truhlar DG
Journal of Physical Chemistry A, 112(17), 3976, 2008
4 Assessment of new meta and hybrid meta density functionals for predicting the geometry and binding energy of a challenging system: The dimer of H2S and benzene
Leverentz HR, Truhlar DG
Journal of Physical Chemistry A, 112(26), 6009, 2008