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Gautam D. Stroscio
Gautam D. Stroscio
Email verificata su llnl.gov
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Multireference description of nickel–aryl homolytic bond dissociation processes in photoredox catalysis
DA Cagan, GD Stroscio, AQ Cusumano, RG Hadt
The Journal of Physical Chemistry A 124 (48), 9915-9922, 2020
402020
Node Distortion as a Tunable Mechanism for Negative Thermal Expansion in Metal–Organic Frameworks
Z Chen, GD Stroscio, J Liu, Z Lu, JT Hupp, L Gagliardi, KW Chapman
Journal of the American Chemical Society 145 (1), 268-276, 2022
282022
The Role of Excited States of LNiII/III(Aryl)(Halide) Complexes in Ni–Halide Bond Homolysis in the Arylation of Csp3–H Bonds
B Maity, TR Scott, GD Stroscio, L Gagliardi, L Cavallo
ACS Catalysis 12 (21), 13215-13224, 2022
282022
Harvesting Water from Air with High-Capacity, Stable Furan-Based Metal–Organic Frameworks
AH Alawadhi, S Chheda, GD Stroscio, Z Rong, D Kurandina, HL Nguyen, ...
Journal of the American Chemical Society 146 (3), 2160-2166, 2024
272024
A Porous Crystalline Nitrone‐Linked Covalent Organic Framework
D Kurandina, B Huang, W Xu, N Hanikel, A Darù, GD Stroscio, K Wang, ...
Angewandte Chemie International Edition 62 (36), e202307674, 2023
162023
Multiconfiguration Pair-Density Functional Theory Calculations of Iron (II) Porphyrin: Effects of Hybrid Pair-Density Functionals and Expanded RAS and DMRG Active Spaces on …
GD Stroscio, C Zhou, DG Truhlar, L Gagliardi
The Journal of Physical Chemistry A 126 (24), 3957-3963, 2022
152022
Multiconfiguration Pair-Density Functional Theory for Chromium (IV) Molecular Qubits
A Sauza-De La Vega, R Pandharkar, GD Stroscio, A Sarkar, DG Truhlar, ...
JACS Au 2 (9), 2029-2037, 2022
142022
Quantifying entatic states in photophysical processes: Applications to copper photosensitizers
GD Stroscio, RD Ribson, RG Hadt
Inorganic Chemistry 58 (24), 16800-16817, 2019
142019
Multireference Ground and Excited State Electronic Structures of Free-versus Iron Porphyrin-Carbenes
GD Stroscio, M Srnec, RG Hadt
Inorganic Chemistry 59 (13), 8707-8715, 2020
132020
Elucidating Actinide–Pertechnetate and Actinide–Perrhenate Bonding via a Family of Th–TcO4 and Th–ReO4 Frameworks and Solutions
M Shohel, J Bustos, GD Stroscio, A Sarkar, M Nyman
Inorganic Chemistry 62 (26), 10450-10460, 2023
72023
Majorana zero modes emulated in a magnetic molecule chain
S Hoffman, JX Yu, SL Liu, CA Brantley, GD Stroscio, RG Hadt, G Christou, ...
arXiv preprint arXiv:2110.12019, 2021
22021
Univariate Prediction of Hammett Parameters and Select Relative Reaction Rates Using Loewdin Atomic Charges
GD Stroscio, N Goldman
The Journal of Physical Chemistry A, 2024
2024
Artificial intelligence-guided molecular screening for coordination framework compounds
B Feng, SP Chheda, G Stroscio, W Jeong, N Hanikel, JF Nichols, ...
US Patent App. 18/593,296, 2024
2024
Competitive Valerate Binding Enables RuO2-Mediated Butene Electrosynthesis in Water
S Kunstelj, A Darù, A Sauza-de la Vega, GD Stroscio, E Edwards, ...
Journal of the American Chemical Society 146 (30), 20584-20593, 2024
2024
Density functional theory calculations of single-molecule magnets Co3(SALPN)2(O2CCH3)2⋅R2
S Liu, JX Yu, S Hoffman, C Brantley, G Stroscio, R Hadt, G Christou, ...
APS March Meeting Abstracts 2022, Z53. 002, 2022
2022
Understanding the Electronic Structures of First-Row Transition Metal Complexes for Solar Energy Conversion and Catalysis
GD Stroscio
California Institute of Technology, 2021
2021
Photoacoustic Spectroscopy of-and-Dependence in the O_ {2} A-Band
MJ Cich, EM Lunny, G Stroscio, TQ Bui, P Rupasinghe, D Hogan, C Bray, ...
72nd International Symposium on Molecular Spectroscopy, MJ10, 2017
2017
High Resolution Photoacoustic Spectroscopy of the Oxygen A-Band
MJ Cich, EM Lunny, G Stroscio, TQ Bui, C Bray, D Hogan, P Rupasinghe, ...
71st International Symposium on Molecular Spectroscopy, WB05, 2016
2016
High Resolution Photoacoustic Spectroscopy of the Oxygen A-Band to Support the OCO Missions
MJ Cich, EM Lunny, TQ Bui, BJ Drouin, M Okumura, GD Stroscio
AGU Fall Meeting Abstracts 2015, A41I-0184, 2015
2015
Supporting Information: Multiconfiguration Pair-Density Functional Theory for Chromium (IV) Molecular Qubits
A Sauza-de la Vega, R Pandharkar, GD Stroscio, A Sarkar, DG Truhlar, ...
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