Blar i forfatter Artikler, rapporter og annet (kjemi) "Wind, Peter Ariaan"

Viser treff 1-4 av 4

    • EURODELTA-Trends, a multi-model experiment of air quality hindcast in Europe over 1990-2010 

      Colette, Augustin; Andersson, Camilla; Manders, Astrid; Mar, Kathleen; Mircea, Mihaela; Pay, Maria-Teresa; Raffort, Valentin; Tsyro, Svetlana G.; Cuvelier, Cornelius; Adani, Mario; Bessagnet, Bertrand; Bergström, Robert; Briganti, Gino; Butler, Tim; Cappelletti, Andrea; Couvidat, Florian; D'Isidoro, Massimo; Doumbia, Thierno; Fagerli, Hilde; Granier, Claire; Heyes, Chris; Klimont, Zig; Ojha, Narendra; Otero, Noelia; Schaap, Martijn; Sindelarova, Katarina; Stegehuis, Annemiek I.; Roustan, Yelva; Vautard, Robert; Van Meijgaard, Erik; Garcia Vivanco, Marta; Wind, Peter Ariaan (Journal article; Tidsskriftartikkel; Peer reviewed, 2017-09-05)
      The EURODELTA-Trends multi-model chemistry-transport experiment has been designed to facilitate a better understanding of the evolution of air pollution and its drivers for the period 1990–2010 in Europe. The main objective of the experiment is to assess the efficiency of air pollutant emissions mitigation measures in improving regional-scale air quality. <br>The present paper formulates the ...

    • A multi-model comparison of meteorological drivers of surface ozone over Europe 

      Otero, Noelia; Sillmann, Jana; Mar, Kathleen; Rust, Henning W.; Solberg, Sverre; Andersson, Camilla; Engardt, Magnuz; Bergström, Robert; Bessagnet, Bertrand; Colette, Augustin; Couvidat, Florian; Cuvelier, Cornelius; Tsyro, Svetlana; Fagerli, Hilde; Schaap, Martijn; Manders, Astrid; Mircea, Mihaela; Briganti, Gino; Cappelletti, Andrea; Adani, Mario; D'Isidoro, Massimo; Pay, María Teresa; Theobald, Mark; Vivanco, Marta G.; Wind, Peter Ariaan; Ojha, Narendra; Raffort, Valentin; Butler, Tim (Journal article; Tidsskriftartikkel; Peer reviewed, 2018-08-24)
      The implementation of European emission abatement strategies has led to a significant reduction in the emissions of ozone precursors during the last decade. Ground-level ozone is also influenced by meteorological factors such as temperature, which exhibit interannual variability and are expected to change in the future. The impacts of climate change on air quality are usually investigated through ...

    • Quantifying Intramolecular Basis Set Superposition Errors 

      Pitteloud, Quentin Grégoire; Wind, Peter Ariaan; Jensen, Stig Rune; Frediani, Luca; Jensen, Frank (Journal article; Tidsskriftartikkel; Peer reviewed, 2023-08-18)
      We show that medium-sized Gaussian basis sets lead to significant intramolecular basis set superposition errors at Hartree–Fock and density functional levels of theory, with artificial stabilization of compact over extended conformations for a 186 atom deca-peptide. Errors of ∼80 and ∼10 kJ/mol are observed, with polarized double zeta and polarized triple zeta quality basis sets, respectively. Two ...

    • Scalar Relativistic Effects with Multiwavelets: Implementation and Benchmark 

      Brakestad, Anders; Jensen, Stig Rune; Tantardini, Christian; Pitteloud, Quentin Gregoire; Wind, Peter Ariaan; Užulis, Jānis; Gulans, Andris; Hopmann, Kathrin Helen; Frediani, Luca (Journal article; Tidsskriftartikkel; Peer reviewed, 2024-01-05)
      The importance of relativistic effects in quantum chemistry is widely recognized, not only for heavier elements but throughout the periodic table. At the same time, relativistic effects are strongest in the nuclear region, where the description of electrons through a linear combination of atomic orbitals becomes more challenging. Furthermore, the choice of basis sets for heavier elements is ...