| Calculation of fundamental frequencies for small polyatomic molecules: a comparison between correlation consistent and atomic natural orbital basis sets L McCaslin, J Stanton Molecular Physics 111 (9-11), 1492-1496, 2013 | 97 | 2013 |
| The performance of density functionals for sulfate–water clusters N Mardirossian, DS Lambrecht, L McCaslin, SS Xantheas, ... Journal of chemical theory and computation 9 (3), 1368-1380, 2013 | 92 | 2013 |
| Communication: Thermal unimolecular decomposition of syn-CH3CHOO: A kinetic study TL Nguyen, L McCaslin, MC McCarthy, JF Stanton The Journal of Chemical Physics 145 (13), 2016 | 55 | 2016 |
| Ultraviolet photodissociation of gas-phase iron pentacarbonyl probed with ultrafast infrared spectroscopy NC Cole-Filipiak, J Troß, P Schrader, LM McCaslin, K Ramasesha The Journal of Chemical Physics 154 (13), 2021 | 36 | 2021 |
| Chirped-pulse fourier transform microwave spectroscopy coupled with a flash pyrolysis microreactor: structural determination of the reactive intermediate cyclopentadienone NM Kidwell, V Vaquero-Vara, TK Ormond, GT Buckingham, D Zhang, ... The Journal of Physical Chemistry Letters 5 (13), 2201-2207, 2014 | 30 | 2014 |
| Refined energetic ordering for sulphate–water (n = 3–6) clusters using high-level electronic structure calculations DS Lambrecht, L McCaslin, SS Xantheas, E Epifanovsky, M Head-Gordon Molecular Physics 110 (19-20), 2513-2521, 2012 | 29 | 2012 |
| Hydration and hydrogen bond order of octadecanoic acid and octadecanol films on water at 21 and 1 C MG Vazquez de Vasquez, KA Carter-Fenk, LM McCaslin, EE Beasley, ... The Journal of Physical Chemistry A 125 (46), 10065-10078, 2021 | 22 | 2021 |
| Mechanisms and competition of halide substitution and hydrolysis in reactions of N2O5 with seawater LM McCaslin, MA Johnson, RB Gerber Science advances 5 (6), eaav6503, 2019 | 22 | 2019 |
| Gas-Phase Optical Detection of 3-Ethynylcyclopentenyl: A Resonance-Stabilized C7H7 Radical with an Embedded 1-Vinylpropargyl Chromophore NJ Reilly, DL Kokkin, ML Ward, J Flores, SD Ross, LM McCaslin, ... Journal of the American Chemical Society 142 (23), 10400-10411, 2020 | 17 | 2020 |
| Gas‐Phase Structure Determination of Dihydroxycarbene, One of the Smallest Stable Singlet Carbenes CC Womack, KN Crabtree, L McCaslin, O Martinez Jr, RW Field, ... Angewandte Chemie International Edition 53 (16), 4089-4092, 2014 | 17 | 2014 |
| Femtosecond Core-Level Spectroscopy Reveals Involvement of Triplet States in the Gas-Phase Photodissociation of Fe(CO)5 J Troß, JE Arias-Martinez, K Carter-Fenk, NC Cole-Filipiak, P Schrader, ... Journal of the American Chemical Society 146 (32), 22711-22723, 2024 | 16 | 2024 |
| Ultrafast infrared transient absorption spectroscopy of gas-phase Ni (CO) 4 photodissociation at 261 nm NC Cole-Filipiak, J Troß, P Schrader, LM McCaslin, K Ramasesha The Journal of Chemical Physics 156 (14), 2022 | 15 | 2022 |
| Infrared photodissociation spectroscopy of D2-tagged CH3CO2 −(H2O)0−2 anions JA DeVine, S Debnath, YK Li, LM McCaslin, W Schöllkopf, DM Neumark, ... Molecular Physics 118 (11), e1749953, 2020 | 14 | 2020 |
| Isomer-specific cryogenic ion vibrational spectroscopy of the D 2 tagged Cs+(HNO 3)(H 2 O) n= 0–2 complexes: ion-driven enhancement of the acidic H-bond to water S Mitra, CH Duong, LM McCaslin, RB Gerber, MA Johnson Physical Chemistry Chemical Physics 22 (8), 4501-4507, 2020 | 14 | 2020 |
| Excited-State Dynamics during Primary C–I Homolysis in Acetyl Iodide Revealed by Ultrafast Core-Level Spectroscopy J Troß, K Carter-Fenk, NC Cole-Filipiak, P Schrader, MK Word, ... The Journal of Physical Chemistry A 127 (18), 4103-4114, 2023 | 11 | 2023 |
| Size-Dependent Onset of Nitric Acid Dissociation in Cs+·(HNO3)(H2O)n=0–11 Clusters at 20 K S Mitra, N Yang, LM McCaslin, RB Gerber, MA Johnson The Journal of Physical Chemistry Letters 12 (13), 3335-3342, 2021 | 10 | 2021 |
| UV photofragmentation dynamics of acetaldehyde cations prepared by single-photon VUV ionization KM Kapnas, LM McCaslin, C Murray Physical Chemistry Chemical Physics 21 (26), 14214-14225, 2019 | 10 | 2019 |
| Reactive intermediates in 4He nanodroplets: Infrared laser Stark spectroscopy of dihydroxycarbene BM Broderick, L McCaslin, CP Moradi, JF Stanton, GE Douberly The Journal of Chemical Physics 142 (14), 2015 | 10 | 2015 |
| Ground State Orbital Analysis Predicts S1 Charge Transfer in Donor–Acceptor Materials A Abou Taka, JM Herbert, LM McCaslin | 9 | 2023 |
| Coherent vibrational dynamics in an isolated peptide captured with two-dimensional infrared spectroscopy Z Ma, LM McCaslin, JA Fournier Journal of the American Chemical Society 147 (11), 9556-9565, 2025 | 8 | 2025 |
Martin HEAD-GORDONKenneth S. Pitzer Distinguished Professor, University of California, BerkeleyVerified email at cchem.berkeley.edu
