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Berhane Temelso
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Structures of cage, prism, and book isomers of water hexamer from broadband rotational spectroscopy
C Pérez, MT Muckle, DP Zaleski, NA Seifert, B Temelso, GC Shields, ...
Science 336 (6083), 897-901, 2012
3982012
Benchmark structures and binding energies of small water clusters with anharmonicity corrections
B Temelso, KA Archer, GC Shields
The Journal of Physical Chemistry A 115 (43), 12034-12046, 2011
3042011
Concerted hydrogen-bond breaking by quantum tunneling in the water hexamer prism
JO Richardson, C Pérez, S Lobsiger, AA Reid, B Temelso, GC Shields, ...
Science 351 (6279), 1310-1313, 2016
2502016
Accurate Predictions of Water Cluster Formation, (H2O)n=2−10
RM Shields, B Temelso, KA Archer, TE Morrell, GC Shields
The Journal of Physical Chemistry A 114 (43), 11725-11737, 2010
2232010
Broadband Fourier transform rotational spectroscopy for structure determination: The water heptamer
C Pérez, S Lobsiger, NA Seifert, DP Zaleski, B Temelso, GC Shields, ...
Chemical Physics Letters 571, 1-15, 2013
1902013
Quantum mechanical study of sulfuric acid hydration: Atmospheric implications
B Temelso, TE Morrell, RM Shields, MA Allodi, EK Wood, KN Kirschner, ...
The Journal of Physical Chemistry A 116 (9), 2209-2224, 2012
1052012
Hydrogen Bond Cooperativity and the Three‐Dimensional Structures of Water Nonamers and Decamers
C Pérez, DP Zaleski, NA Seifert, B Temelso, GC Shields, Z Kisiel, BH Pate
Angewandte Chemie 126 (52), 14596-14600, 2014
972014
The role of anharmonicity in hydrogen-bonded systems: The case of water clusters
B Temelso, GC Shields
Journal of chemical theory and computation 7 (9), 2804-2817, 2011
922011
Computational study of the hydration of sulfuric acid dimers: Implications for acid dissociation and aerosol formation
B Temelso, TN Phan, GC Shields
The Journal of Physical Chemistry A 116 (39), 9745-9758, 2012
882012
High-level ab initio studies of hydrogen abstraction from prototype hydrocarbon systems
B Temelso, CD Sherrill, RC Merkle, RA Freitas
The Journal of Physical Chemistry A 110 (38), 11160-11173, 2006
792006
Isotopic ratios in Titan's methane: measurements and modeling
CA Nixon, B Temelso, S Vinatier, NA Teanby, B Bézard, RK Achterberg, ...
The Astrophysical Journal 749 (2), 159, 2012
772012
Hydration of the bisulfate ion: atmospheric implications
DE Husar, B Temelso, AL Ashworth, GC Shields
The Journal of Physical Chemistry A 116 (21), 5151-5163, 2012
652012
Hydration of the Sulfuric Acid–Methylamine Complex and Implications for Aerosol Formation
DJ Bustos, B Temelso, GC Shields
The Journal of Physical Chemistry A 118 (35), 7430-7441, 2014
512014
High accuracy ab initio studies of , , and three isomers of
B Temelso, CD Sherrill
The Journal of chemical physics 122 (6), 064315, 2005
442005
Arbalign: A tool for optimal alignment of arbitrarily ordered isomers using the kuhn–munkres algorithm
B Temelso, JM Mabey, T Kubota, N Appiah-Padi, GC Shields
Journal of chemical information and modeling 57 (5), 1045-1054, 2017
432017
Effect of Mixing Ammonia and Alkylamines on Sulfate Aerosol Formation
B Temelso, EF Morrison, DL Speer, BC Cao, NA Appiah-Padi, G Kim, ...
The Journal of Physical Chemistry A 122, 1612-1622, 2018
422018
A comparison of one-particle basis set completeness, higher-order electron correlation, relativistic effects, and adiabatic corrections for spectroscopic constants of BH, CH+ …
B Temelso, EF Valeev, CD Sherrill
The Journal of Physical Chemistry A 108 (15), 3068-3075, 2004
402004
Corannulene and its complex with water: a tiny cup of water
C Pérez, AL Steber, AM Rijs, B Temelso, GC Shields, JC Lopez, Z Kisiel, ...
Physical Chemistry Chemical Physics 19 (22), 14214-14223, 2017
292017
Capturing the Elusive water trimer from the stepwise growth of water on the surface of the polycyclic aromatic hydrocarbon acenaphthene
AL Steber, C Pérez, B Temelso, GC Shields, AM Rijs, BH Pate, Z Kisiel, ...
The Journal of Physical Chemistry Letters 8 (23), 5744-5750, 2017
282017
Ab initio thermochemistry of the hydrogenation of hydrocarbon radicals using silicon-, germanium-, tin-, and lead-substituted methane and isobutane
B Temelso, CD Sherrill, RC Merkle, RA Freitas
The Journal of Physical Chemistry A 111 (35), 8677-8688, 2007
282007
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Articles 1–20