Dr. Berhane Temelso
Postdoctoral associate
Office:310 Rooke Chemistry
Phone: (570) 577-2259
Email: bt018@bucknell.edu
EDUCATION
B.A. in Physics from Berea College
Ph.D. in Chemistry from Georgia Institute of Technology
RESEARCH INTERESTS
Atmospheric chemistry - computational modeling of the growth of molecular clusters to aerosols
Computational biochemistry - characterization of the pharmacophore of breast cancer inhibiting peptides derived from AFP
PUBLICATIONS
Broadband Fourier Transform Rotational Spectroscopy for Structure Determination: The Water Heptamer.
C. Pérez, S. Lobsiger, N. A. Seifert, D. P. Zaleski, B. Temelso, G. C. Shields, Z. Kisiel, B. H. Pate. Chem. Phys. Lett 571, 1-15 (2013)
(doi: 10.1016/j.cplett.2013.04.014)Structures of Cage, Prism, and Book Isomers of Water Hexamer from Broadband Rotational Spectroscopy.
C. Pérez, M. T. Muckle, D. P. Zaleski, N. A. Seifert, B. Temelso, G. C. Shields, Z. Kisiel, B. H. Pate. Science 336, 897-901 (2012)
(doi: 10.1126/science.1220574)Computational Study of the Hydration of Sulfuric Acid Dimers: Implications for Acid Dissociation and Aerosol Formation.
B. Temelso, T. N. Phan* and G. C. Shields. J. Phys. Chem. A. 116(39), 9745-9758 (2012)
(doi: 10.1021/jp3054394)Hydration of the Bisulfate Ion: Atmospheric Implications.
D. E. Husar,* B. Temelso, A. Asheworth* and G. C. Shields. J. Phys. Chem. A. 116, 5151-5163 (2012)
(doi: 10.1021/jp300717j)Quantum Mechanical Study of Sulfuric Acid Hydration: Atmospheric Implications.
B. Temelso, T. Morrell,* R. Shields,* M. Allodi,* E. Wood,* K. N. Kirschner, T. Castonguay, K. Archer* and G. C. Shields. J. Phys. Chem. A. 119, 2209-2224 (2012)
(doi: 10.1021/jp2119026))Isotopic Ratios in Titan’s Methane: Measurements and Modeling.
C. A. Nixon, B. Temelso, S. Vinatier, N. A. Teanby, B. Bézard, R. K. Achterberg, K. E. Mandt, C. D. Sherrill, P. G. J. Irwin, D. E. Jennings, P. N. Romani, A. Coustenis, F. M. Flasar. Astrophys. J. 749, 159 (2012)
(doi: 10.1088/0004-637X/749/2/159)Benchmark Structures and Binding Energies of Small Water Clusters with Anharmonicity Corrections.
B. Temelso, K. A. Archer and G. C. Shields. J. Phys. Chem. A. 117, 12034-12046 (2011)
(doi: 10.1021/jp2069489)The Role of Anharmonicity in Hydrogen-Bonded Systems: The Case of Water Clusters.
B. Temelso and G. C. Shields. J. Chem. Theory and Comp. 7, 2804-2817 (2011)
(doi: 10.1021/ct2003308Accurate Predictions of Water Cluster Formation, (H2O)n=2-10.
R. M. Shields, B. Temelso, K. A. Archer and G. C. Shields. J. Phys. Chem. A 140. 11725-11737 (2010)
(doi: 10.1021/jp911493b)Ab Initio Thermochemistry of the Hydrogenation of Hydrocarbon Radicals Using Silicon-, Germanium-, Tin-, And Lead-Substituted Methane and Isobutane,
B. Temelso, C. D. Sherrill, R. C. Merkle, and R. A. Freitas, J. Phys. Chem. A 110, 8677-8688 (2007)
(doi: 10.1021/jp071797k)High-Level Ab Initio Studies of Hydrogen Abstraction From Prototype Hydrocarbon Systems,
B. Temelso, C. D. Sherrill, R. C. Merkle, and R. A. Freitas, J. Phys. Chem. A 110, 11160-11173 (2006)
(doi: 10.1021/jp061821e)Hybrid Correlation Models Based On Active-space Partitioning: Seeking Accurate O(N5) Ab Initio Methods for Bond Breaking,
A. D. Bochevarov, B. Temelso, and C. D. Sherrill, J. Chem. Phys. 125, 054109 (2006) (PDF Full Text)
(doi: 10.1063/1.2222350)High Accuracy Ab Initio Studies of Li6+, Li6-, and Three Isomers of Li6,
B. Temelso and C. D. Sherrill, J. Chem. Phys. 122, 064315 (2005) (PDF Full Text)
(doi: 10.1063/1.1846671)A Comparison of One-Particle Basis Set Completeness, Higher-Order Electron Correlation, Relativistic Effects, And Adiabatic Corrections for Spectroscopic Constants of BH, CH+, and NH,
B. Temelso, E. F. Valeev, and C. D. Sherrill, J. Phys. Chem. A 108, 3068-3075 (2004) (Abstract)
(doi: 10.1021/jp036933+)Characterization of the Electronic States of the Phosphaethyne Cation (HCP+),
B. Temelso, N. A. Richardson, L. Sari, Y. Yamaguchi, and H. F. Schaefer III, J. Theor. Comp. Chem. 4, 707 (2005)
(doi: 10.1142/S0219633605001738)