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Autor:
Anderson SL; Laboratory of Molecular Simulation (LSMO), Institut des Sciences et Ingénierie Chimiques (ISIC), École Polytechnique Fédérale de Lausanne (EPFL), Rue de l'Industrie 17, CH-1951, Sion, Switzerland., Boyd PG; Laboratory of Molecular Simulation (LSMO), Institut des Sciences et Ingénierie Chimiques (ISIC), École Polytechnique Fédérale de Lausanne (EPFL), Rue de l'Industrie 17, CH-1951, Sion, Switzerland., Gładysiak A; Laboratory of Molecular Simulation (LSMO), Institut des Sciences et Ingénierie Chimiques (ISIC), École Polytechnique Fédérale de Lausanne (EPFL), Rue de l'Industrie 17, CH-1951, Sion, Switzerland., Nguyen TN; Laboratory of Molecular Simulation (LSMO), Institut des Sciences et Ingénierie Chimiques (ISIC), École Polytechnique Fédérale de Lausanne (EPFL), Rue de l'Industrie 17, CH-1951, Sion, Switzerland., Palgrave RG; University College London, Department of Chemistry, 20 Gordon St, London, WC1H 0AJ, UK., Kubicki D; Laboratory of Magnetic Resonance (LRM), Institut des Sciences et Ingénierie Chimiques (ISIC), École Polytechnique Fédérale de Lausanne (EPFL), CH-1015, Lausanne, Switzerland., Emsley L; Laboratory of Magnetic Resonance (LRM), Institut des Sciences et Ingénierie Chimiques (ISIC), École Polytechnique Fédérale de Lausanne (EPFL), CH-1015, Lausanne, Switzerland., Bradshaw D; School of Chemistry, University of Southampton, Highfield Campus, Southampton, UK., Rosseinsky MJ; Department of Chemistry, University of Liverpool, Crown Street, Liverpool, L69 7ZD, UK., Smit B; Laboratory of Molecular Simulation (LSMO), Institut des Sciences et Ingénierie Chimiques (ISIC), École Polytechnique Fédérale de Lausanne (EPFL), Rue de l'Industrie 17, CH-1951, Sion, Switzerland., Stylianou KC; Laboratory of Molecular Simulation (LSMO), Institut des Sciences et Ingénierie Chimiques (ISIC), École Polytechnique Fédérale de Lausanne (EPFL), Rue de l'Industrie 17, CH-1951, Sion, Switzerland. kyriakos.stylianou@oregonstate.edu.; Department of Chemistry, Oregon State University, Corvallis, OR, 97331, USA. kyriakos.stylianou@oregonstate.edu.
Publikováno v:
Nature communications [Nat Commun] 2022 Aug 02; Vol. 13 (1), pp. 4486. Date of Electronic Publication: 2022 Aug 02.
Autor:
Moosavi SM; Laboratory of Molecular Simulation, Institut des Sciences et Ingénierie Chimiques, École, Polytechnique Fédérale de Lausanne (EPFL), Rue de l'Industrie 17, Sion, CH-1951, Valais, Switzerland.; Department of Chemical Engineering, Massachusetts Institute of Technology, Cambridge, MA, 02139, USA., Nandy A; Department of Chemical Engineering, Massachusetts Institute of Technology, Cambridge, MA, 02139, USA.; Department of Chemistry, Massachusetts Institute of Technology, Cambridge, MA, 02139, USA., Jablonka KM; Laboratory of Molecular Simulation, Institut des Sciences et Ingénierie Chimiques, École, Polytechnique Fédérale de Lausanne (EPFL), Rue de l'Industrie 17, Sion, CH-1951, Valais, Switzerland., Ongari D; Laboratory of Molecular Simulation, Institut des Sciences et Ingénierie Chimiques, École, Polytechnique Fédérale de Lausanne (EPFL), Rue de l'Industrie 17, Sion, CH-1951, Valais, Switzerland., Janet JP; Department of Chemical Engineering, Massachusetts Institute of Technology, Cambridge, MA, 02139, USA., Boyd PG; Laboratory of Molecular Simulation, Institut des Sciences et Ingénierie Chimiques, École, Polytechnique Fédérale de Lausanne (EPFL), Rue de l'Industrie 17, Sion, CH-1951, Valais, Switzerland., Lee Y; School of Physical Science and Technology, ShanghaiTech University, 201210, Shanghai, China., Smit B; Laboratory of Molecular Simulation, Institut des Sciences et Ingénierie Chimiques, École, Polytechnique Fédérale de Lausanne (EPFL), Rue de l'Industrie 17, Sion, CH-1951, Valais, Switzerland. berend.smit@epfl.ch., Kulik HJ; Department of Chemical Engineering, Massachusetts Institute of Technology, Cambridge, MA, 02139, USA. hjkulik@mit.edu.
Publikováno v:
Nature communications [Nat Commun] 2020 Aug 13; Vol. 11 (1), pp. 4068. Date of Electronic Publication: 2020 Aug 13.
Autor:
Boyd PG; Laboratory of Molecular Simulation (LSMO), Institut des Sciences et Ingénierie Chimiques, Valais (ISIC), École Polytechnique Fédérale de Lausanne (EPFL), Sion, Switzerland., Chidambaram A; Laboratory of Molecular Simulation (LSMO), Institut des Sciences et Ingénierie Chimiques, Valais (ISIC), École Polytechnique Fédérale de Lausanne (EPFL), Sion, Switzerland., García-Díez E; Research Centre for Carbon Solutions (RCCS), School of Engineering and Physical Sciences, Heriot-Watt University, Edinburgh, UK., Ireland CP; Laboratory of Molecular Simulation (LSMO), Institut des Sciences et Ingénierie Chimiques, Valais (ISIC), École Polytechnique Fédérale de Lausanne (EPFL), Sion, Switzerland., Daff TD; Department of Chemistry and Biomolecular Science, University of Ottawa, Ottawa, Ontario, Canada.; Department of Engineering, University of Cambridge, Cambridge, UK., Bounds R; Department of Chemical and Biomolecular Engineering, University of California, Berkeley, Berkeley, CA, USA., Gładysiak A; Laboratory of Molecular Simulation (LSMO), Institut des Sciences et Ingénierie Chimiques, Valais (ISIC), École Polytechnique Fédérale de Lausanne (EPFL), Sion, Switzerland., Schouwink P; Institut des Sciences et Ingénierie Chimiques (ISIC), École Polytechnique Fédérale de Lausanne (EPFL), Lausanne, Switzerland., Moosavi SM; Laboratory of Molecular Simulation (LSMO), Institut des Sciences et Ingénierie Chimiques, Valais (ISIC), École Polytechnique Fédérale de Lausanne (EPFL), Sion, Switzerland., Maroto-Valer MM; Research Centre for Carbon Solutions (RCCS), School of Engineering and Physical Sciences, Heriot-Watt University, Edinburgh, UK., Reimer JA; Department of Chemical and Biomolecular Engineering, University of California, Berkeley, Berkeley, CA, USA.; Materials Science Division, Lawrence Berkeley National Laboratory, Berkeley, CA, USA., Navarro JAR; Departamento de Química Inorgánica, Universidad de Granada, Granada, Spain., Woo TK; Department of Chemistry and Biomolecular Science, University of Ottawa, Ottawa, Ontario, Canada. twoo@uottawa.ca., Garcia S; Research Centre for Carbon Solutions (RCCS), School of Engineering and Physical Sciences, Heriot-Watt University, Edinburgh, UK. S.Garcia@hw.ac.uk., Stylianou KC; Laboratory of Molecular Simulation (LSMO), Institut des Sciences et Ingénierie Chimiques, Valais (ISIC), École Polytechnique Fédérale de Lausanne (EPFL), Sion, Switzerland. kyriakos.stylianou@oregonstate.edu.; Department of Chemistry, Oregon State University, Corvallis, OR, US. kyriakos.stylianou@oregonstate.edu., Smit B; Laboratory of Molecular Simulation (LSMO), Institut des Sciences et Ingénierie Chimiques, Valais (ISIC), École Polytechnique Fédérale de Lausanne (EPFL), Sion, Switzerland. berend.smit@epfl.ch.
Publikováno v:
Nature [Nature] 2019 Dec; Vol. 576 (7786), pp. 253-256. Date of Electronic Publication: 2019 Dec 11.
Autor:
Anderson SL; Laboratory of Molecular Simulation (LSMO), Institut des Sciences et Ingénierie Chimiques (ISIC), École Polytechnique Fédérale de Lausanne (EPFL Valais Wallis), Rue de l'Industrie 17, CH-1951, Sion, Switzerland., Boyd PG; Laboratory of Molecular Simulation (LSMO), Institut des Sciences et Ingénierie Chimiques (ISIC), École Polytechnique Fédérale de Lausanne (EPFL Valais Wallis), Rue de l'Industrie 17, CH-1951, Sion, Switzerland., Gładysiak A; Laboratory of Molecular Simulation (LSMO), Institut des Sciences et Ingénierie Chimiques (ISIC), École Polytechnique Fédérale de Lausanne (EPFL Valais Wallis), Rue de l'Industrie 17, CH-1951, Sion, Switzerland., Nguyen TN; Laboratory of Molecular Simulation (LSMO), Institut des Sciences et Ingénierie Chimiques (ISIC), École Polytechnique Fédérale de Lausanne (EPFL Valais Wallis), Rue de l'Industrie 17, CH-1951, Sion, Switzerland., Palgrave RG; Department of Chemistry, University College London, 20 Gordon St, London, WC1H 0AJ, UK., Kubicki D; Laboratory of Magnetic Resonance (LRM), Institut des Sciences et Ingénierie Chimiques (ISIC), École Polytechnique Fédérale de Lausanne (EPFL), CH-1015, Lausanne, Switzerland., Emsley L; Laboratory of Magnetic Resonance (LRM), Institut des Sciences et Ingénierie Chimiques (ISIC), École Polytechnique Fédérale de Lausanne (EPFL), CH-1015, Lausanne, Switzerland., Bradshaw D; School of Chemistry, University of Southampton, Highfield Campus, Southampton, SO17 1BJ, UK., Rosseinsky MJ; Department of Chemistry, University of Liverpool, Crown Street, Liverpool, L69 7ZD, UK., Smit B; Laboratory of Molecular Simulation (LSMO), Institut des Sciences et Ingénierie Chimiques (ISIC), École Polytechnique Fédérale de Lausanne (EPFL Valais Wallis), Rue de l'Industrie 17, CH-1951, Sion, Switzerland., Stylianou KC; Laboratory of Molecular Simulation (LSMO), Institut des Sciences et Ingénierie Chimiques (ISIC), École Polytechnique Fédérale de Lausanne (EPFL Valais Wallis), Rue de l'Industrie 17, CH-1951, Sion, Switzerland. kyriakos.stylianou@epfl.ch.
Publikováno v:
Nature communications [Nat Commun] 2019 Apr 08; Vol. 10 (1), pp. 1612. Date of Electronic Publication: 2019 Apr 08.
Autor:
Ongari D; Laboratory of Molecular Simulation (LSMO), Institut des Sciences et Ingénierie Chimiques , Ecole Polytechnique Fédérale de Lausanne (EPFL) , Rue de l'Industrie 17 , CH-1951 Sion , Valais , Switzerland., Boyd PG; Laboratory of Molecular Simulation (LSMO), Institut des Sciences et Ingénierie Chimiques , Ecole Polytechnique Fédérale de Lausanne (EPFL) , Rue de l'Industrie 17 , CH-1951 Sion , Valais , Switzerland., Kadioglu O; Department of Chemical and Biological Engineering , Koc University , Rumelifeneri Yolu, Sariyer , 34450 Istanbul , Turkey., Mace AK; Laboratory of Molecular Simulation (LSMO), Institut des Sciences et Ingénierie Chimiques , Ecole Polytechnique Fédérale de Lausanne (EPFL) , Rue de l'Industrie 17 , CH-1951 Sion , Valais , Switzerland., Keskin S; Department of Chemical and Biological Engineering , Koc University , Rumelifeneri Yolu, Sariyer , 34450 Istanbul , Turkey., Smit B; Laboratory of Molecular Simulation (LSMO), Institut des Sciences et Ingénierie Chimiques , Ecole Polytechnique Fédérale de Lausanne (EPFL) , Rue de l'Industrie 17 , CH-1951 Sion , Valais , Switzerland.
Publikováno v:
Journal of chemical theory and computation [J Chem Theory Comput] 2019 Jan 08; Vol. 15 (1), pp. 382-401. Date of Electronic Publication: 2018 Dec 04.
Autor:
Gładysiak A; Laboratory of Molecular Simulation (LSMO), Institut des sciences et ingénierie chimiques (ISIC) , École polytechnique fédérale de Lausanne (EPFL) Valais , Rue de l'Industrie 17 , 1951 Sion , Switzerland., Deeg KS; Department of Chemistry , University of California , Berkeley , California 94720 , United States., Dovgaliuk I; Swiss-Norwegian Beamlines , European Synchrotron Radiation Facility , 38000 Grenoble , France., Chidambaram A; Laboratory of Molecular Simulation (LSMO), Institut des sciences et ingénierie chimiques (ISIC) , École polytechnique fédérale de Lausanne (EPFL) Valais , Rue de l'Industrie 17 , 1951 Sion , Switzerland., Ordiz K; Department of Chemical and Biomolecular Engineering , University of California , Berkeley , California 94720 , United States., Boyd PG; Laboratory of Molecular Simulation (LSMO), Institut des sciences et ingénierie chimiques (ISIC) , École polytechnique fédérale de Lausanne (EPFL) Valais , Rue de l'Industrie 17 , 1951 Sion , Switzerland., Moosavi SM; Laboratory of Molecular Simulation (LSMO), Institut des sciences et ingénierie chimiques (ISIC) , École polytechnique fédérale de Lausanne (EPFL) Valais , Rue de l'Industrie 17 , 1951 Sion , Switzerland., Ongari D; Laboratory of Molecular Simulation (LSMO), Institut des sciences et ingénierie chimiques (ISIC) , École polytechnique fédérale de Lausanne (EPFL) Valais , Rue de l'Industrie 17 , 1951 Sion , Switzerland., Navarro JAR; Departamento de Química Inorgánica , Universidad de Granada , Av. Fuentenueva S/N , 18071 Granada , Spain., Smit B; Laboratory of Molecular Simulation (LSMO), Institut des sciences et ingénierie chimiques (ISIC) , École polytechnique fédérale de Lausanne (EPFL) Valais , Rue de l'Industrie 17 , 1951 Sion , Switzerland.; Department of Chemistry , University of California , Berkeley , California 94720 , United States.; Department of Chemical and Biomolecular Engineering , University of California , Berkeley , California 94720 , United States., Stylianou KC; Laboratory of Molecular Simulation (LSMO), Institut des sciences et ingénierie chimiques (ISIC) , École polytechnique fédérale de Lausanne (EPFL) Valais , Rue de l'Industrie 17 , 1951 Sion , Switzerland.
Publikováno v:
ACS applied materials & interfaces [ACS Appl Mater Interfaces] 2018 Oct 24; Vol. 10 (42), pp. 36144-36156. Date of Electronic Publication: 2018 Oct 11.
Autor:
Moosavi SM; Laboratory of Molecular Simulation, Institut des Sciences et Ingénierie Chimiques, École Polytechnique Fédérale de Lausanne (EPFL), Rue de l'Industrie 17, Sion, CH-1951 Valais, Switzerland., Boyd PG; Laboratory of Molecular Simulation, Institut des Sciences et Ingénierie Chimiques, École Polytechnique Fédérale de Lausanne (EPFL), Rue de l'Industrie 17, Sion, CH-1951 Valais, Switzerland., Sarkisov L; Institute for Materials and Processes, School of Engineering, The University of Edinburgh, Edinburgh EH9 3JL, United Kingdom., Smit B; Laboratory of Molecular Simulation, Institut des Sciences et Ingénierie Chimiques, École Polytechnique Fédérale de Lausanne (EPFL), Rue de l'Industrie 17, Sion, CH-1951 Valais, Switzerland.; Department of Chemical and Biomolecular Engineering, University of California, Berkeley, Berkeley, California 94720, United States.
Publikováno v:
ACS central science [ACS Cent Sci] 2018 Jul 25; Vol. 4 (7), pp. 832-839. Date of Electronic Publication: 2018 Jun 20.
Autor:
Park S; Department of Chemical and Biomolecular Engineering, Korea Advanced Institute of Science and Technology (KAIST) , 291 Daehak-ro, Yuseong-gu, Daejeon 34141, Republic of Korea., Kim B; Department of Chemical and Biomolecular Engineering, Korea Advanced Institute of Science and Technology (KAIST) , 291 Daehak-ro, Yuseong-gu, Daejeon 34141, Republic of Korea., Choi S; Department of Chemical and Biomolecular Engineering, Korea Advanced Institute of Science and Technology (KAIST) , 291 Daehak-ro, Yuseong-gu, Daejeon 34141, Republic of Korea., Boyd PG; Laboratory of Molecular Simulation, Institut des Sciences et Ingénierie Chimiques, Valais, Ecole Polytechnique Fédérale de Lausanne (EPFL) , Rue de l'Industrie 17, CH-1951 Sion, Switzerland., Smit B; Laboratory of Molecular Simulation, Institut des Sciences et Ingénierie Chimiques, Valais, Ecole Polytechnique Fédérale de Lausanne (EPFL) , Rue de l'Industrie 17, CH-1951 Sion, Switzerland., Kim J; Department of Chemical and Biomolecular Engineering, Korea Advanced Institute of Science and Technology (KAIST) , 291 Daehak-ro, Yuseong-gu, Daejeon 34141, Republic of Korea.
Publikováno v:
Journal of chemical information and modeling [J Chem Inf Model] 2018 Feb 26; Vol. 58 (2), pp. 244-251. Date of Electronic Publication: 2018 Jan 29.