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Page 1
Quantifying Intramolecular Basis Set Superposition Errors.
J Chem Theory Comput. 2023 Sep 12;19(17):5863-5871. doi: 10.1021/acs.jctc.3c00693. Epub 2023 Aug 18.
J Chem Theory Comput. 2023.
PMID: 37595013
Multiwavelets applied to metal-ligand interactions: Energies free from basis set errors.
Brakestad A, Wind P, Jensen SR, Frediani L, Hopmann KH.
Brakestad A, et al. Among authors: wind p.
J Chem Phys. 2021 Jun 7;154(21):214302. doi: 10.1063/5.0046023.
J Chem Phys. 2021.
PMID: 34240981
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MRChem Multiresolution Analysis Code for Molecular Electronic Structure Calculations: Performance and Scaling Properties.
Wind P, Bjørgve M, Brakestad A, Gerez S GA, Jensen SR, Eikås RDR, Frediani L.
Wind P, et al.
J Chem Theory Comput. 2023 Jan 10;19(1):137-146. doi: 10.1021/acs.jctc.2c00982. Epub 2022 Nov 21.
J Chem Theory Comput. 2023.
PMID: 36410396
Free PMC article.
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Static Polarizabilities at the Basis Set Limit: A Benchmark of 124 Species.
Brakestad A, Jensen SR, Wind P, D'Alessandro M, Genovese L, Hopmann KH, Frediani L.
Brakestad A, et al. Among authors: wind p.
J Chem Theory Comput. 2020 Aug 11;16(8):4874-4882. doi: 10.1021/acs.jctc.0c00128. Epub 2020 Jul 8.
J Chem Theory Comput. 2020.
PMID: 32544327
Free PMC article.
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Scalar Relativistic Effects with Multiwavelets: Implementation and Benchmark.
Brakestad A, Jensen SR, Tantardini C, Pitteloud Q, Wind P, Užulis J, Gulans A, Hopmann KH, Frediani L.
Brakestad A, et al. Among authors: wind p.
J Chem Theory Comput. 2024 Jan 23;20(2):728-737. doi: 10.1021/acs.jctc.3c01095. Epub 2024 Jan 5.
J Chem Theory Comput. 2024.
PMID: 38181377
Free PMC article.
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Modeled deposition of nitrogen and sulfur in Europe estimated by 14 air quality model systems: evaluation, effects of changes in emissions and implications for habitat protection.
Vivanco MG, Theobald MR, García-Gómez H, Garrido JL, Prank M, Aas W, Adani M, Alyuz U, Andersson C, Bellasio R, Bessagnet B, Bianconi R, Bieser J, Brandt J, Briganti G, Cappelletti A, Curci G, Christensen JH, Colette A, Couvidat F, Cuvelier C, D'Isidoro M, Flemming J, Fraser A, Geels C, Hansen KM, Hogrefe C, Im U, Jorba O, Kitwiroon N, Manders A, Mircea M, Otero N, Pay MT, Pozzoli L, Solazzo E, Tsyro S, Unal A, Wind P, Galmarini S.
Vivanco MG, et al. Among authors: wind p.
Atmos Chem Phys. 2018 Jul 18;18(14):10199-10218. doi: 10.5194/acp-18-10199-2018.
Atmos Chem Phys. 2018.
PMID: 30450115
Free PMC article.
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VAMPyR-A high-level Python library for mathematical operations in a multiwavelet representation.
Bjørgve M, Tantardini C, Jensen SR, Gerez S GA, Wind P, Di Remigio Eikås R, Dinvay E, Frediani L.
Bjørgve M, et al. Among authors: wind p.
J Chem Phys. 2024 Apr 28;160(16):162502. doi: 10.1063/5.0203401.
J Chem Phys. 2024.
PMID: 38666572
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