| 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 | 472 | 2012 |
| 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 | 348 | 2011 |
| 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 | 341 | 2016 |
| 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 | 257 | 2010 |
| 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 | 249 | 2013 |
| 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 International Edition 53 (52), 14368-14372, 2014 | 131 | 2014 |
| 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 | 123 | 2012 |
| 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 | 102 | 2011 |
| 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 | 100 | 2012 |
| 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 | 91 | 2012 |
| 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 | 83 | 2006 |
| 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 | 72 | 2012 |
| 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 | 65 | 2018 |
| 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 | 64 | 2017 |
| 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 | 62 | 2014 |
| 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 | 50 | 2017 |
| High accuracy ab initio studies of Li6+, Li6−, and three isomers of Li6 B Temelso, CD Sherrill The Journal of chemical physics 122 (6), 2005 | 47 | 2005 |
| 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 | 45 | 2004 |
| 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 | 42 | 2017 |
| Computation of atmospheric concentrations of molecular clusters from ab initio thermochemistry TT Odbadrakh, AG Gale, BT Ball, B Temelso, GC Shields JoVE (Journal of Visualized Experiments), e60964, 2020 | 33 | 2020 |
