Laura McCaslin
Laura McCaslin
Verified email at sandia.gov
Title
Cited by
Cited by
Year
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
732013
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
632013
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), 131102, 2016
272016
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
252012
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
222014
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
122014
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), 144309, 2015
82015
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
72019
Double Photodetachment of F·H2O: Experimental and Theoretical Studies of [F·H2O]+
A Shahi, L McCaslin, Y Albeck, RE Continetti, RB Gerber, D Strasser
The journal of physical chemistry letters 9 (23), 6808-6813, 2018
32018
Ion reactions in atmospherically-relevant clusters: mechanisms, dynamics and spectroscopic signatures
NV Karimova, LM McCaslin, RB Gerber
Faraday discussions 217, 342-360, 2019
22019
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
22019
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, 2020
12020
Isomer-specific cryogenic ion vibrational spectroscopy of the D2 tagged Cs+ (HNO3)(H2O) 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
12020
Controlling internal degrees: general discussion
M Ahmed, K Asmis, I Avdonin, MK Beyer, E Bieske, S Bougueroua, ...
Faraday discussions 217, 138-171, 2019
12019
Going large (r): general discussion
M Ahmed, S Daly, C Dessent, O Dopfer, V Gabelica, MP Gaigeot, ...
Faraday discussions 217, 476-513, 2019
12019
Studying the Vibrational Signatures of Ice Templating Processes at Sea Spray Aerosols Interfaces via Ab Initio Molecular Dynamics
L McCaslin, MV de Vasquez, KA Carter-Fenk, HC Allen
AGU Fall Meeting 2020, 2020
2020
Theoretical characterization of hydrogen polyoxides: HOOH, HOOOH, HOOOOH and HOOO
JM Simmie, J Würmel, V Trimble, L Vereecken, B Aumont, I Barnes, ...
Journal of Physical and Chemical Reference Data 49 (2), 1-46, 2020
2020
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, e1749953, 2020
2020
Isomer-specific cryogenic ion vibrational spectroscopy of the D-2 tagged Cs+ (HNO3)(H2O)(n= 0-2) complexes: ion-driven enhancement of the acidic H-bond to water (2020)(vol 22 …
S Mitra, CHH Duong, LMM McCaslin, RB Gerber, MAA Johnson
PHYSICAL CHEMISTRY CHEMICAL PHYSICS 22 (11), 6478-6478, 2020
2020
Correction: Isomer-specific cryogenic ion vibrational spectroscopy of the D2 tagged Cs+ (HNO3)(H2O) 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 (11), 6478-6478, 2020
2020
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Articles 1–20