Kamu erişimi zorunlu olan makaleler - Alex BrownDaha fazla bilgi edinin
Hiçbir yerde sunulmuyor: 20
Why do TD-DFT excitation energies of BODIPY/aza-BODIPY families largely deviate from experiment? Answers from electron correlated and multireference methods
MR Momeni, A Brown
Journal of chemical theory and computation 11 (6), 2619-2632, 2015
Zorunlu olanlar: US National Institutes of Health, Natural Sciences and Engineering Research …
Aerobic solid state red phosphorescence from benzobismole monomers and patternable self‐assembled block copolymers
SM Parke, E Hupf, GK Matharu, I de Aguiar, L Xu, H Yu, MP Boone, ...
Angewandte Chemie International Edition 57 (45), 14841-14846, 2018
Zorunlu olanlar: Natural Sciences and Engineering Research Council of Canada, National …
A local CC2 and TDA-DFT double hybrid study on BODIPY/aza-BODIPY dimers as heavy atom free triplet photosensitizers for photodynamic therapy applications
MR Momeni, A Brown
The Journal of Physical Chemistry A 120 (16), 2550-2560, 2016
Zorunlu olanlar: Natural Sciences and Engineering Research Council of Canada
A ground state potential energy surface for HONO based on a neural network with exponential fitting functions
E Pradhan, A Brown
Physical Chemistry Chemical Physics 19 (33), 22272-22281, 2017
Zorunlu olanlar: Natural Sciences and Engineering Research Council of Canada
Vibrational energies for HFCO using a neural network sum of exponentials potential energy surface
E Pradhan, A Brown
The Journal of Chemical Physics 144 (17), 2016
Zorunlu olanlar: Natural Sciences and Engineering Research Council of Canada
Neural network exponential fitting of a potential energy surface with multiple minima: Application to HFCO
E Pradhan, A Brown
Journal of Molecular Spectroscopy 330, 158-164, 2016
Zorunlu olanlar: Natural Sciences and Engineering Research Council of Canada
Insight into the Decomposition Mechanism of Donor–Acceptor Complexes of EH2 (E = Ge and Sn) and Access to Germanium Thin Films from Solution
J Sinclair, G Dai, R McDonald, MJ Ferguson, A Brown, E Rivard
Inorganic Chemistry 59 (15), 10996-11008, 2020
Zorunlu olanlar: Natural Sciences and Engineering Research Council of Canada, National …
Uncovering Halogen Mixing and Octahedral Dynamics in Cs2SnX6 by Multinuclear Magnetic Resonance Spectroscopy
A Karmakar, S Mukhopadhyay, PGB Gachod, VA Mora-Gomez, ...
Chemistry of Materials 33 (15), 6078-6090, 2021
Zorunlu olanlar: Natural Sciences and Engineering Research Council of Canada
Fitting potential energy surfaces to sum-of-products form with neural networks using exponential neurons
A Brown, E Pradhan
Journal of Theoretical and Computational Chemistry 16 (05), 1730001, 2017
Zorunlu olanlar: Natural Sciences and Engineering Research Council of Canada
Degradation at the Na3SbS4/Anode Interface in an Operating All-Solid-State Sodium Battery
G Xie, M Tang, S Xu, A Brown, L Sang
ACS Applied Materials & Interfaces 14 (43), 48705-48714, 2022
Zorunlu olanlar: Natural Sciences and Engineering Research Council of Canada, Canada First …
A revised nuclear quadrupole moment for aluminum: Theoretical nuclear quadrupole coupling constants of aluminum compounds
A Aerts, A Brown
The Journal of chemical physics 150 (22), 2019
Zorunlu olanlar: Natural Sciences and Engineering Research Council of Canada
Determination of two-photon-absorption cross sections using time-dependent density functional theory tight binding: application to fluorescent protein chromophores
M Rossano-Tapia, A Brown
Journal of Chemical Theory and Computation 15 (5), 3153-3161, 2019
Zorunlu olanlar: Natural Sciences and Engineering Research Council of Canada
Aurophilicity and Photoluminescence of (6‐Diphenylpnicogenoacenaphth‐5‐yl) gold Compounds
TG Do, E Hupf, E Lork, JF Kögel, F Mohr, A Brown, R Toyoda, ...
European Journal of Inorganic Chemistry 2019 (5), 647-659, 2019
Zorunlu olanlar: German Research Foundation
Two-photon absorption properties of gold fluorescent protein: a combined molecular dynamics and quantum chemistry study
Y Simsek, A Brown
The Journal of Physical Chemistry B 122 (22), 5738-5748, 2018
Zorunlu olanlar: Natural Sciences and Engineering Research Council of Canada
Bandgap‐Tuning in Triple‐Chalcogenophene Polymer Films by Thermal Annealing
DM González, KN Raftopoulos, G He, CM Papadakis, A Brown, E Rivard, ...
Macromolecular Rapid Communications 38 (11), 1700065, 2017
Zorunlu olanlar: Natural Sciences and Engineering Research Council of Canada, German Research …
Effects of hydrogen bonding with H2O on the resonance Raman spectra of uracil and thymine
S Sun, A Brown
Computational and Theoretical Chemistry 1100, 70-82, 2017
Zorunlu olanlar: Natural Sciences and Engineering Research Council of Canada
Promising small molecule Pechmann dye analogue donors with low interfacial charge recombination for photovoltaic application: A DFT study
L Bhattacharya, G Gogoi, S Sharma, A Brown, S Sahu
Materials Today Communications 28, 102555, 2021
Zorunlu olanlar: Department of Science & Technology, India
On the photoinduced degradation of tamsulosin: The simpler the better
IN Soares, LMC Ferreira, MHMT Assumpção, A Brown, FC Vicentini, ...
Journal of Environmental Chemical Engineering 11 (6), 111244, 2023
Zorunlu olanlar: Fundação de Amparo à Pesquisa do Estado de São Paulo
The lowest lying excited electronic states for HFCO including a potential energy surface for S 1 in sum-of-products form
E Pradhan, A Brown
Molecular Physics 118 (12), e1674936, 2020
Zorunlu olanlar: Natural Sciences and Engineering Research Council of Canada
Accurate potential energy surfaces using atom-centered potentials and minimal high-level data
MN Ashani, Q Huang, AM Flowers, A Brown, A Aerts, A Otero-de-la-Roza, ...
The Journal of Physical Chemistry A 127 (38), 8015-8024, 2023
Zorunlu olanlar: National Fund for Scientific Research, Belgium, Natural Sciences and …
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