All Faculty and Research Staff Publications

Export 5 results:
Filters: Author is Desiree M. Bates  [Clear All Filters]
A B C D E F G H I J K L M N O P Q R S T U V W X Y Z 
B
Bates DM, Tschumper GS. CCSD(T) Complete Basis Set Limit Relative Energies for Low-Lying Water Hexamer Structures. The Journal of Physical Chemistry A [Internet]. 2009 ;113:3555-3559. Available from: http://dx.doi.org/10.1021/jp8105919
Bates DM, Smith JR, Tschumper GS. Efficient and Accurate Methods for the Geometry Optimization of Water Clusters: Application of Analytic Gradients for the Two-Body:Many-Body QM:QM Fragmentation Method to (H2O)n, n = 3–10. Journal of Chemical Theory and Computation [Internet]. 2011 ;7:2753-2760. Available from: http://dx.doi.org/10.1021/ct200176t
Bates DM, Smith JR, Janowski T, Tschumper GS. Development of a 3-body:many-body integrated fragmentation method for weakly bound clusters and application to water clusters (H2O)n = 3 − 10, 16, 17. The Journal of Chemical Physics [Internet]. 2011 ;135:-. Available from: http://scitation.aip.org/content/aip/journal/jcp/135/4/10.1063/1.3609922
Bates DM, Smith JR, Janowski T, Tschumper GS. Development of a 3-body: many-body integrated fragmentation method for weakly bound clusters and application to water clusters (H2O)(n=3)-10, 16, 17. Journal of Chemical Physics. 2011 ;135.
Bates DM, Anderson JA, Oloyede P, Tschumper GS. Probing the effects of heterogeneity on delocalized π..π interaction energies. Phys. Chem. Chem. Phys. [Internet]. 2008 ;10:2775-2779. Available from: http://dx.doi.org/10.1039/B718720C