On this page, you will find all articles and letters published by LCBC. For lab’s different publication outputs please refer to:
On this page, you will find all articles and letters published by LCBC. For lab’s different publication outputs please refer to:
A. Antalik; A. Levy; S. Kvedaravičiūtė; D. Carrasco-Busturia; S. K. Johnson et al.
The Journal of Chemical Physics. 2024. Vol. 161, num. 2, p. 022501. DOI : 10.1063/5.0211053.W. Luo; S. Kim; N. Lempesis; L. Merten; E. Kneschaurek et al.
ADVANCED SCIENCE. 2024. DOI : 10.1002/advs.202405622.J. Jeong; T. Chawanpunyawat; M. Kim; V. Slama; N. Lempesis et al.
Advanced Energy Materials. 2024. DOI : 10.1002/aenm.202401965.D. Carrasco-Busturia; E. Ippoliti; S. Meloni; U. Rothlisberger; J. M. H. Olsen
Current Opinion In Structural Biology. 2024. Vol. 86, p. 102821. DOI : 10.1016/j.sbi.2024.102821.J. Villard; M. P. Bircher; U. Rothlisberger
Chemical Science. 2024. DOI : 10.1039/d3sc05828j.J. Villard; M. P. Bircher; U. Rothlisberger
Journal Of Chemical Theory And Computation. 2023. Vol. 19, num. 24, p. 9211 – 9227. DOI : 10.1021/acs.jctc.3c00952.M. Kilic; P. Diamantis; S. K. Johnson; O. Toth; U. Rothlisberger
Journal Of Chemical Theory And Computation. 2023. Vol. 19, num. 22, p. 8434 – 8445. DOI : 10.1021/acs.jctc.3c01013.S. M. Park; M. Wei; N. Lempesis; W. Yu; T. Hossain et al.
Nature. 2023. Vol. 624, p. 289 – 294. DOI : 10.1038/s41586-023-06745-7.L. Li; M. Wei; V. Carnevali; H. Zeng; m. Zeng et al.
Advanced Materials. 2023. DOI : 10.1002/adma.202303869.A. Krishna; V. Skorjanc; M. Dankl; J. Hieulle; H. Phirke et al.
Acs Energy Letters. 2023. Vol. 8, num. 8, p. 3604 – 3613. DOI : 10.1021/acsenergylett.3c01029.S. L. Durr; A. Levy; U. Rothlisberger
Nature Communications. 2023. Vol. 14, num. 1, p. 2713. DOI : 10.1038/s41467-023-37870-6.B. Raghavan; F. K. Schackert; A. Levy; S. K. Johnson; E. Ippoliti et al.
Journal Of Chemical Information And Modeling. 2023. Vol. 63, num. 5, p. 1406 – 1412. DOI : 10.1021/acs.jcim.2c01620.A. Das; S. Bhattacharyya; E. J. Rohwer; M. Gazzetto; A. Cannizzo et al.
Journal Of Molecular Liquids. 2023. Vol. 377, p. 121551. DOI : 10.1016/j.molliq.2023.121551.J. Villard; M. Kilic; U. Rothlisberger
Journal Of Chemical Theory And Computation. 2023. Vol. 19, num. 3, p. 1080 – 1097. DOI : 10.1021/acs.jctc.2c01078.E. A. R. Alharbi; A. Krishna; N. Lempesis; M. Dankl; I. Mosquera-Lois et al.
Joule. 2023. Vol. 7, num. 1, p. 183 – 200. DOI : 10.1016/j.joule.2022.11.013.S. M. Salehi; S. Kaeser; K. Toepfer; P. Diamantis; R. Pfister et al.
Physical Chemistry Chemical Physics. 2022. Vol. 24, num. 42, p. 26046 – 26060. DOI : 10.1039/d2cp02857c.S. Yilmaz; E. G. Acar; G. Yanalak; E. Aslan; M. Kilic et al.
Applied Surface Science. 2022. Vol. 593, p. 153398. DOI : 10.1016/j.apsusc.2022.153398.A. Mishra; D. J. Kubicki; A. Boziki; R. D. Chavan; M. Dankl et al.
Acs Energy Letters. 2022. Vol. 7, num. 8, p. 2745 – 2752. DOI : 10.1021/acsenergylett.2c00877.S. C. van Keulen; J. Martin; F. Colizzi; E. Frezza; D. Trpevski et al.
Wiley Interdisciplinary Reviews-Computational Molecular Science. 2022. p. e1623. DOI : 10.1002/wcms.1623.Y-R. Wang; A. Senocrate; M. Mladenovic; A. Ducinskas; G. Y. Kim et al.
Advanced Energy Materials. 2022. p. 2200768. DOI : 10.1002/aenm.202200768.M. S. Ozer; Z. Eroglu; A. S. Yalin; M. Kilic; U. Rothlisberger et al.
Applied Catalysis B-Environmental. 2022. Vol. 304, p. 120957. DOI : 10.1016/j.apcatb.2021.120957.N. Arora; A. Greco; S. Meloni; A. Hinderhofer; A. Mattoni et al.
Communications Materials. 2022. Vol. 3, num. 1, p. 22. DOI : 10.1038/s43246-022-00239-1.B. P. Le Monnier; L. Savereide; M. Kilic; R. Schnyder; M. D. Mensi et al.
Acs Sustainable Chemistry & Engineering. 2022. Vol. 10, num. 11, p. 3455 – 3465. DOI : 10.1021/acssuschemeng.1c07056.L. A. Muscarella; A. Ducinskas; M. Dankl; M. Andrzejewski; N. P. M. Casati et al.
Advanced Materials. 2022. p. 2108720. DOI : 10.1002/adma.202108720.A. Boziki; P. Baudin; E. Liberatore; N. A. Astani; U. Rothlisberger
Journal Of Computational Chemistry. 2022. Vol. 43, num. 8, p. 577 – 582. DOI : 10.1002/jcc.26815.P. Baudin; F. Mouvet; U. Rothlisberger
Journal Of Chemical Physics. 2022. Vol. 156, num. 3, p. 034107. DOI : 10.1063/5.0065728.H. Zhang; K. Darabi; N. Y. Nia; A. Krishna; P. Ahlawat et al.
Nature Communications. 2022. Vol. 13, p. 89. DOI : 10.1038/s41467-021-27740-4.T. Kirsch; J. M. H. Olsen; V. Bolnykh; S. Meloni; E. Ippoliti et al.
Journal Of Chemical Theory And Computation. 2022. Vol. 18, num. 1, p. 13 – 24. DOI : 10.1021/acs.jctc.1c00878.E. A. Alharbi; A. Krishna; T. P. Baumeler; M. Dankl; G. C. Fish et al.
ACS Energy Letters. 2021. Vol. 6, p. 3650 – 3660. DOI : 10.1021/acsenergylett.1c01754.A. Krishna; H. Zhang; Z. Zhou; T. Gallet; M. Dankl et al.
Energy & Environmental Science. 2021. Vol. 14, p. 5552 – 5562. DOI : 10.1039/d1ee02454j.A. Mishra; P. Ahlawat; G. C. Fish; F. Jahanbakhshi; M. Mladenovic et al.
Chemistry of Materials. 2021. Vol. 33, num. 16, p. 6412 – 6420. DOI : 10.1021/acs.chemmater.1c01635.H. Zhang; F. T. Eickemeyer; Z. Zhou; M. Mladenović; F. Jahanbakhshi et al.
Nature Communications. 2021. Vol. 12, num. 1, p. 3383. DOI : 10.1038/s41467-021-23566-2.P. Ahlawat; A. Hinderhofer; E. A. R. Alharbi; H. Lu; A. Ummadisingu et al.
Science Advances. 2021. Vol. 7, num. 17, p. eabe3326. DOI : 10.1126/sciadv.abe3326.J. Jeong; M. Kim; J. Seo; H. Lu; P. Ahlawat et al.
Nature. 2021. Vol. 592, num. 7854, p. 381 – 385. DOI : 10.1038/s41586-021-03406-5.G. Gaulier; Q. Dietschi; S. Bhattacharyya; C. Schmidt; M. Montagnese et al.
Science Advances. 2021. Vol. 7, num. 18, p. eabe1911. DOI : 10.1126/sciadv.abe1911.A. Boziki; M. I. Dar; G. Jacopin; M. Gratzel; U. Rothlisberger
Journal Of Physical Chemistry Letters. 2021. Vol. 12, num. 10, p. 2699 – 2704. DOI : 10.1021/acs.jpclett.1c00263.D. Narzi; S. C. van Keulen; U. Röthlisberger
PLOS ONE. 2021. Vol. 16, num. 1, p. e0245197. DOI : 10.1371/journal.pone.0245197.M. A. Hope; T. Nakamura; P. Ahlawat; A. Mishra; M. Cordova et al.
Journal of the American Chemical Society. 2021. Vol. 143, num. 3, p. 1529 – 1538. DOI : 10.1021/jacs.0c11563.T-S. Su; F. T. Eickemeyer; M. A. Hope; F. Jahanbakhshi; M. Mladenovic et al.
Journal Of The American Chemical Society. 2020. Vol. 142, num. 47, p. 19980 – 19991. DOI : 10.1021/jacs.0c08592.V. Buchter; Y. C. Ong; F. Mouvet; A. Ladaycia; E. Lepeltier et al.
Chemistry-A European Journal. 2020. Vol. 26, num. 66, p. 15232 – 15241. DOI : 10.1002/chem.202002856.P. Diamantis; I. Tavernelli; U. Rothlisberger
Journal Of Chemical Theory And Computation. 2020. Vol. 16, num. 10, p. 6690 – 6701. DOI : 10.1021/acs.jctc.0c00568.M. P. Bircher; J. Villard; U. Rothlisberger
Journal Of Chemical Theory And Computation. 2020. Vol. 16, num. 10, p. 6550 – 6559. DOI : 10.1021/acs.jctc.0c00724.H. Lu; Y. Liu; P. Ahlawat; A. Mishra; W. R. Tress et al.
Science. 2020. Vol. 370, num. 6512, p. eabb898574. DOI : 10.1126/science.abb8985.A. Boziki; M. Mladenovic; M. Gratzel; U. Rothlisberger
Physical Chemistry Chemical Physics. 2020. Vol. 22, num. 36, p. 20880 – 20890. DOI : 10.1039/d0cp03882b.F. Jahanbakhshi; M. Mladenovic; E. Kneschaurek; L. Merten; M. C. Gelvez-Rueda et al.
Journal Of Materials Chemistry A. 2020. Vol. 8, num. 34, p. 17732 – 17740. DOI : 10.1039/d0ta05022a.L. Peterhans; E. Nicolaidou; P. Diamantis; E. Alloa; M. Leclerc et al.
Chemistry Of Materials. 2020. Vol. 32, num. 17, p. 7347 – 7362. DOI : 10.1021/acs.chemmater.0c02251.R. Capelli; W. Lyu; V. Bolnykh; S. Meloni; J. M. H. Olsen et al.
Journal Of Physical Chemistry Letters. 2020. Vol. 11, num. 15, p. 6373 – 6381. DOI : 10.1021/acs.jpclett.0c00999.M. C. Gelvez-Rueda; P. Ahlawat; L. Merten; F. Jahanbakhshi; M. Mladenovic et al.
Advanced Functional Materials. 2020. p. 2003428. DOI : 10.1002/adfm.202003428.V. Bolnykh; U. Rothlisberger; P. Carloni
Israel Journal Of Chemistry. 2020. Vol. 60, num. 7, p. 694 – 704. DOI : 10.1002/ijch.202000022.M. G. Chiariello; V. Bolnykh; E. Ippoliti; S. Meloni; J. M. H. Olsen et al.
Journal Of The American Chemical Society. 2020. Vol. 142, num. 16, p. 7254 – 7258. DOI : 10.1021/jacs.9b13588.V. Bolnykh; J. M. H. Olsen; S. Meloni; M. P. Bircher; E. Ippoliti et al.
Frontiers In Molecular Biosciences. 2020. Vol. 7, p. 45. DOI : 10.3389/fmolb.2020.00045.A. Boziki; D. J. Kubicki; A. Mishra; S. Meloni; L. Emsley et al.
Chemistry of Materials. 2020. Vol. 32, num. 6, p. 2605 – 2614. DOI : 10.1021/acs.chemmater.0c00120.M. P. Bircher; U. Röthlisberger
Computer Physics Communications. 2020. Vol. 247, p. 106943. DOI : 10.1016/j.cpc.2019.106943.A. Bahmanpour; F. E. Héroguel; M. Kiliç; C. J. Baranowski; P. A. Schouwink et al.
Applied Catalysis B: Environmental. 2020. Vol. 266, p. 118669. DOI : 10.1016/j.apcatb.2020.118669.L. Hong; J. V. Milic; P. Ahlawat; M. Mladenovic; D. J. Kubicki et al.
Angewandte Chemie. 2020. Vol. 59, num. 12, p. 4691 – 4697. DOI : 10.1002/anie.201912051.P. Ahlawat; M. I. Dar; p. piaggi; M. Graetzel; M. Parrinello et al.
Chemistry of Materials. 2019. Vol. 32, num. 1, p. 529 – 536. DOI : 10.1021/acs.chemmater.9b04259.S. C. van Keulen; D. Narzi; U. Rothlisberger
Biochemistry. 2019. Vol. 58, num. 42, p. 4317 – 4324. DOI : 10.1021/acs.biochem.9b00662.A. Q. M. Alanazi; D. J. Kubicki; D. Prochowicz; E. A. R. Alharbi; M. E. F. Bouduban et al.
Journal of the American Chemical Society. 2019. Vol. 141, num. 44, p. 17659 – 17669. DOI : 10.1021/jacs.9b07381.N. J. Bruce; D. Narzi; D. Trpevski; S. C. van Keulen; A. G. Nair et al.
Plos Computational Biology. 2019. Vol. 15, num. 10, p. e1007382. DOI : 10.1371/journal.pcbi.1007382.L. K. Batchelor; L. De Falco; T. von Erlach; D. Sharma; Z. Adhireksan et al.
Angewandte Chemie-International Edition. 2019. Vol. 58, num. 44, p. 15660 – 15664. DOI : 10.1002/anie.201906423.V. Bolnykh; J. M. H. Olsen; S. Meloni; M. P. Bircher; E. Ippoliti et al.
Journal of Chemical Theory and Computation. 2019. Vol. 15, num. 10, p. 5601 – 5613. DOI : 10.1021/acs.jctc.9b00424.N. Hartmann; S. Bhattacharyya; F. Schlaepfer; M. Volkov; Z. Schumacher et al.
Physical Chemistry Chemical Physics. 2019. Vol. 21, num. 33, p. 18380 – 18385. DOI : 10.1039/c9cp03138c.M. H. Alotaibi; Y. A. Alzahrani; N. Arora; A. Alyamani; A. Albadri et al.
Solar Rrl. 2019. p. 1900234. DOI : 10.1002/solr.201900234.A. De Luca; L. J. Parker; W. H. Ang; C. Rodolfo; V. Gabbarini et al.
Proceedings of the National Academy of Sciences. 2019. Vol. 116, num. 28, p. 13943 – 13951. DOI : 10.1073/pnas.1903297116.N. Ashari Astani; F. Jahanbakhshi; M. Mladenovic; A. Q. M. Alanazi; I. Ahmadabadi et al.
Journal of Physical Chemistry Letters. 2019. Vol. 10, p. 3543 – 3549. DOI : 10.1021/acs.jpclett.9b01111.A. M. Bahmanpour; F. Héroguel; M. Kılıç; C. J. Baranowski; L. Artiglia et al.
ACS Catalysis. 2019. Vol. 9, num. 7, p. 6243 – 6251. DOI : 10.1021/acscatal.9b01822.J. M. H. Olsen; V. Bolnykh; S. Meloni; E. Ippoliti; M. P. Bircher et al.
Journal Of Chemical Theory And Computation. 2019. Vol. 15, num. 6, p. 3810 – 3823. DOI : 10.1021/acs.jctc.9b00093.P. Baudin; F. Pawlowski; D. Bykov; D. Liakh; K. Kristensen et al.
Journal Of Chemical Physics. 2019. Vol. 150, num. 13, p. 134110. DOI : 10.1063/1.5046935.P. Diamantis; I. Tavernelli; U. Rothlisberger
Journal Of Chemical Theory And Computation. 2019. Vol. 15, num. 3, p. 2042 – 2052. DOI : 10.1021/acs.jctc.8b00645.M. P. Bircher; P. Lopez-Tarifa; U. Rothlisberger
Journal Of Chemical Theory And Computation. 2019. Vol. 15, num. 1, p. 557 – 571. DOI : 10.1021/acs.jctc.8b00897.F. Kiani; N. Ashari Astani; R. Rahighi; A. Tayyebi; M. Tayebi et al.
Journal of Colloid and Interface Science. 2018. Vol. 521, p. 119 – 131. DOI : 10.1016/j.jcis.2018.03.013.L. Casalino; G. Palermo; A. Spinello; U. Röthlisberger; A. Magistrato
Proceedings of the National Academy of Sciences of the United States of America. 2018. Vol. 115, num. 26, p. 6584 – 6589. DOI : 10.1073/pnas.1802963115.M. P. Bircher; U. Röthlisberger
Journal of Physical Chemistry Letters. 2018. Vol. 9, num. 14, p. 3886 – 3890. DOI : 10.1021/acs.jpclett.8b01620.M. P. Bircher; U. Röthlisberger
J Chem Theory Comput. 2018. Vol. 14, num. 6, p. 3184 – 3195. DOI : 10.1021/acs.jctc.8b00069.V. Scutelnic; M. A. S. Perez; M. Marianski; S. Warnke; A. Gregor et al.
Journal of the American Chemical Society. 2018. Vol. 120, num. 24, p. 7554 – 7560. DOI : 10.1021/jacs.8b02118.E. Liberatore; R. Meli; U. Röthlisberger
Journal of Chemical Theory and Computation. 2018. Vol. 14, num. 6, p. 2834 – 2842. DOI : 10.1021/acs.jctc.7b01189.K. El Hage; S. Brickel; S. Hermelin; G. Gaulier; C. Schmidt et al.
Structural Dynamics. 2018. Vol. 5, num. 1, p. 019901. DOI : 10.1063/1.5020803.E. Bozkurt; M. A. S. Perez; R. Hovius; N. J. Browning; U. Rothlisberger
Journal of the American Chemical Society. 2018. Vol. 140, num. 13, p. 4517 – 4521. DOI : 10.1021/jacs.7b10660.O. A. Syzgantseva; M. Saliba; M. Grätzel; U. Rothlisberger
The Journal of Physical Chemistry Letters. 2017. Vol. 8, num. 6, p. 1191 – 1196. DOI : 10.1021/acs.jpclett.6b03014.M. P. Bircher; E. Liberatore; N. J. Browning; S. Brickel; C. Hofmann et al.
Structural Dynamics. 2017. Vol. 4, num. 6, p. 061510. DOI : 10.1063/1.4996816.Z. Adhireksan; G. Palermo; T. Riedel; Z. Ma; R. Muhammad et al.
Nature Communications. 2017. Vol. 8, p. 14860. DOI : 10.1038/ncomms14860.L. Gallmann; I. Jordan; H. J. Wörner; L. Castiglioni; M. Hengsberger et al.
Structural Dynamics. 2017. Vol. 4, num. 6, p. 061502. DOI : 10.1063/1.4997175.M. Micciarelli; B. F. E. Curchod; S. Bonella; C. Altucci; M. Valadan et al.
Journal Of Physical Chemistry A. 2017. Vol. 121, num. 20, p. 3909 – 3917. DOI : 10.1021/acs.jpca.6b12799.H. J. Wörner; C. A. Arrell; N. Banerji; A. Cannizzo; M. Chergui et al.
Structural Dynamics. 2017. Vol. 4, num. 6, p. 061508. DOI : 10.1063/1.4996505.N. J. Browning; R. Ramakrishnan; O. A. Von Lilienfeld; U. Roethlisberger
Journal Of Physical Chemistry Letters. 2017. Vol. 8, num. 7, p. 1351 – 1359. DOI : 10.1021/acs.jpclett.7b00038.S. C. Van Keulen; A. Solano; U. Rothlisberger
Journal of Chemical Theory and Computation. 2017. Vol. 13, num. 9, p. 4524 – 4534. DOI : 10.1021/acs.jctc.7b00229.L. Casalino; G. Palermo; N. Abdurakhmonova; U. Rothlisberger; A. Magistrato
Journal Of Chemical Theory And Computation. 2017. Vol. 13, num. 1, p. 340 – 352. DOI : 10.1021/acs.jctc.6b00905.J. Teuscher; J. C. Brauer; A. Stepanov; A. Solano; A. Boziki et al.
Structural Dynamics. 2017. Vol. 4, num. 6, p. 061503. DOI : 10.1063/1.4996409.E. Bozkurt; T. A. Soares; U. Rothlisberger
Journal of Chemical Theory and Computation. 2017. Vol. 13, num. 12, p. 6382 – 6390. DOI : 10.1021/acs.jctc.7b00819.K. El Hage; S. Brickel; S. Hermelin; G. Gaulier; C. Schmidt et al.
Structural Dynamics. 2017. Vol. 4, num. 6, p. 061507. DOI : 10.1063/1.4996448.S. Antipov; S. Bhattacharyya; K. El Hage; Z-H. Xu; M. Meuwly et al.
Structural Dynamics. 2017. Vol. 4, num. 6, p. 061509. DOI : 10.1063/1.4996559.J. Wiktor; U. Rothlisberger; A. Pasquarello
The Journal of Physical Chemistry Letters. 2017. Vol. 8, num. 22, p. 5507 – 5512. DOI : 10.1021/acs.jpclett.7b02648.S. C. Van Keulen; U. Rothlisberger
PLoS Computational Biology. 2017. Vol. 13, num. 9, p. e1005673. DOI : 10.1371/journal.pcbi.1005673.S. C. Van Keulen; U. Rothlisberger
Biochemistry. 2017. Vol. 56, num. 1, p. 271 – 280. DOI : 10.1021/acs.biochem.6b00388.N. Ashari-Astani; S. Meloni; A. H. Salavati; G. Palermo; M. Gratzel et al.
Journal Of Physical Chemistry C. 2017. Vol. 121, num. 43, p. 23886 – 23895. DOI : 10.1021/acs.jpcc.7b04898.Z. Ma; G. Palermo; Z. Adhireksan; B. S. Murray; T. Von Erlach et al.
Angewandte Chemie-International Edition. 2016. Vol. 55, num. 26, p. 7441 – 7444. DOI : 10.1002/anie.201602145.E. Brunk; M. A. S. Perez; P. Athri; U. Rothlisberger
ChemPhysChem. 2016. Vol. 17, num. 23, p. 3831 – 3835. DOI : 10.1002/cphc.201601034.L. Casalino; G. Palermo; U. Rothlisberger; A. Magistrato
Journal of the American Chemical Society. 2016. Vol. 138, num. 33, p. 10374 – 10377. DOI : 10.1021/jacs.6b01363.W. Tress; B. Beyer; N. A. Astani; F. Gao; S. Meloni et al.
Journal of Physical Chemistry Letters. 2016. Vol. 7, num. 19, p. 3936 – 3944. DOI : 10.1021/acs.jpclett.6b01962.A. Ludwig; E. Liberatore; J. Herrmann; L. Kasmi; P. López-Tarifa et al.
The Journal of Physical Chemistry Letters. 2016. Vol. 7, num. 10, p. 1901 – 1906. DOI : 10.1021/acs.jpclett.6b00646.S. Meloni; G. Palermo; N. Ashari-Astani; M. Grätzel; U. Rothlisberger
Journal of Materials Chemistry A. 2016. Vol. 4, p. 15997 – 16002. DOI : 10.1039/C6TA04949D.S. C. Van Keulen; E. Gianti; V. Carnevale; M. L. Klein; U. Rothlisberger et al.
The Journal of Physical Chemistry B. 2016. Vol. 121, num. 15, p. 3340 – 3351. DOI : 10.1021/acs.jpcb.6b08339.C. Yi; J. Luo; S. Meloni; A. Boziki; N. Ashari-Astani et al.
Energy & Environmental Science. 2016. Vol. 9, num. 2, p. 656 – 662. DOI : 10.1039/C5EE03255E.S. Mathew; N. A. Astani; B. F. E. Curchod; J. H. Delcamp; M. Marszalek et al.
Journal of Materials Chemistry A. 2016. Vol. 4, num. 6, p. 2332 – 2339. DOI : 10.1039/C5TA08728G.S. Meloni; T. Moehl; W. Tress; M. Franckevičius; M. Saliba et al.
Nature Communications. 2016. Vol. 7, p. 10334. DOI : 10.1038/ncomms10334.M. I. Dar; G. Jacopin; S. Meloni; A. Mattoni; N. Arora et al.
Science Advances. 2016. Vol. 2, num. 10, p. e1601156 – e1601156. DOI : 10.1126/sciadv.1601156.B. F. E. Curchod; T. J. Penfold; U. Rothlisberger; I. Tavernelli
ChemPhysChem. 2015. p. 2127 – 2133. DOI : 10.1002/cphc.201500190.G. Capano; U. Rothlisberger; I. Tavernelli; T. J. Penfold
The Journal of Physical Chemistry A. 2015. p. 150611163653007. DOI : 10.1021/acs.jpca.5b03842.G. Palermo; I. Bauer; P. Campomanes; A. Cavalli; A. Armirotti et al.
PLOS Computational Biology. 2015. Vol. 11, num. 6, p. e1004231. DOI : 10.1371/journal.pcbi.1004231.G. Capano; C. J. Milne; M. Chergui; U. Rothlisberger; I. Tavernelli et al.
Journal of Physics B: Atomic, Molecular and Optical Physics. 2015. Vol. 48, num. 21, p. 214001. DOI : 10.1088/0953-4075/48/21/214001.O. Aseev; M. A. S. Perez; U. Röthlisberger; T. R. Rizzo
Journal of Physical Chemistry Letters. 2015. Vol. 6, p. 2524 – 2529. DOI : 10.1021/acs.jpclett.5b01088.A. Masson; M. K. Kamrath; M. A. S. Perez; M. S. Glover; U. Röthlisberger et al.
Journal of the American Society for Mass Spectrometry. 2015. Vol. 26, p. 1444. DOI : 10.1007/s13361-015-1172-4.P. Campomanes; U. Rothlisberger; M. Alfonso-Prieto; C. Rovira
Journal of the American Chemical Society. 2015. Vol. 137, num. 34, p. 11170 – 11178. DOI : 10.1021/jacs.5b06796.G. Palermo; P. Campomanes; A. Cavalli; U. Rothlisberger; M. De Vivo
Journal Of Physical Chemistry B. 2015. Vol. 119, num. 3, p. 789 – 801. DOI : 10.1021/jp5052276.K. Voitchovsky; N. Ashari Astani; I. Tavernelli; N. Tetreault; U. Rothlisberger et al.
ACS Applied Materials & Interfaces. 2015. Vol. 7, num. 20, p. 10834 – 10842. DOI : 10.1021/acsami.5b01638.F. F. De Carvalho; B. F. E. Curchod; T. J. Penfold; I. Tavernelli
Journal Of Chemical Physics. 2014. Vol. 140, num. 14, p. 144103. DOI : 10.1063/1.4870010.M. Doemer; P. Maurer; P. Campomanes; I. Tavernelli; U. Rothlisberger
Journal of Chemical Theory and Computation. 2014. Vol. 10, num. 1, p. 412 – 422. DOI : 10.1021/ct400697n.M. Micciarelli; M. Valadan; B. Della Ventura; G. Di Fabio; L. De Napoli et al.
The Journal of Physical Chemistry B. 2014. Vol. 118, num. 19, p. 4983 – 4992. DOI : 10.1021/jp4115018.J. Frey; B. F. E. Curchod; R. Scopelliti; I. Tavernelli; U. Rothlisberger et al.
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Dalton Transactions. 2005. num. 2, p. 310 – 314. DOI : 10.1039/b415147j.O. A. von Lilienfeld; R. D. Lins; U. Rothlisberger
Physical Review Letters. 2005. Vol. 95, num. 15, p. 153002/1 – 153002/4. DOI : 10.1103/PhysRevLett.95.153002.I. Tavernelli; U. F. Roehrig; U. Rothlisberger
Molecular Physics. 2005. Vol. 103, num. 6-8, p. 963 – 981. DOI : 10.1080/00268970512331339378.A. Dorcier; P. J. Dyson; C. Gossens; U. Rothlisberger; R. Scopelliti et al.
Organometallics. 2005. Vol. 24, num. 9, p. 2114 – 2123. DOI : 10.1021/om049022a.M. Cascella; C. Micheletti; U. Rothlisberger; P. Carloni
Journal of the American Chemical Society. 2005. Vol. 127, num. 11, p. 3734 – 3742. DOI : 10.1021/ja044608+.O. A. von Lilienfeld; I. Tavernelli; U. Rothlisberger; D. Sebastiani
Journal of Chemical Physics. 2005. Vol. 122, num. 1, p. 014113/1 – 014113/6. DOI : 10.1063/1.1829051.M. Sulpizi; U. F. Roehrig; J. Hutter; U. Rothlisberger
International Journal of Quantum Chemistry. 2005. Vol. 101, num. 6, p. 671 – 682. DOI : 10.1002/qua.20325.O. A. von Lilienfeld; I. Tavernelli; U. Rothlisberger; D. Sebastiani
Physical Review B. 2005. Vol. 71, num. 19, p. 195119/1 – 195119/7. DOI : 10.1103/PhysRevB.71.195119.J. Blumberger; L. Bernasconi; I. Tavernelli; R. Vuilleumier; M. Sprik
Journal of the American Chemical Society. 2004. Vol. 126, num. 12, p. 3928 – 3938. DOI : 10.1021/ja0390754.A. Magistrato; T. K. Woo; A. Togni; U. Rothlisberger
Organometallics. 2004. Vol. 23, num. 13, p. 3218 – 3227. DOI : 10.1021/om049969c.O. A. Von Lilienfeld; I. Tavernelli; U. Rothlisberger; D. Sebastiani
Physical Review Letters. 2004. Vol. 93, num. 15, p. 153004/1 – 153004/4. DOI : 10.1103/PhysRevLett.93.153004.U. F. Roehrig; L. Guidoni; A. Laio; I. Frank; U. Rothlisberger
Journal of the American Chemical Society. 2004. Vol. 126, num. 47, p. 15328 – 15329. DOI : 10.1021/ja048265r.L. Guidoni; K. Spiegel; M. Zumstein; U. Roethlisberger
Angewandte Chemie, International Edition. 2004. Vol. 43, num. 25, p. 3286 – 3289. DOI : 10.1002/anie.200454081.A. Laio; F. L. Gervasio; J. VandeVondele; M. Sulpizi; U. Rothlisberger
Journal of Physical Chemistry B. 2004. Vol. 108, num. 23, p. 7963 – 7968. DOI : 10.1021/jp0496405.D. Sebastiani; U. Rothlisberger
Journal of Physical Chemistry B. 2004. Vol. 108, num. 9, p. 2807 – 2815. DOI : 10.1021/jp0364304.S. Piana; D. Bucher; P. Carloni; U. Rothlisberger
Journal of Physical Chemistry B. 2004. Vol. 108, num. 30, p. 11139 – 11149. DOI : 10.1021/jp037651c.A. Magistrato; P. Maurer; T. Faessler; U. Rothlisberger
Journal of Physical Chemistry A. 2004. Vol. 108, num. 11, p. 2008 – 2013. DOI : 10.1021/jp037932k.J. R. Krumper; M. Gerisch; A. Magistrato; U. Rothlisberger; R. G. Bergman et al.
Journal of the American Chemical Society. 2004. Vol. 126, num. 39, p. 12492 – 12502. DOI : 10.1021/ja047665b.P. Maurer; A. Magistrato; U. Rothlisberger
Journal of Physical Chemistry A. 2004. Vol. 108, num. 52, p. 11494 – 11499. DOI : 10.1021/jp045615n.M. Dal Peraro; L. I. Llarrull; U. Rothlisberger; A. J. Vila; P. Carloni
Journal of the American Chemical Society. 2004. Vol. 126, num. 39, p. 12661 – 12668. DOI : 10.1021/ja048071b.S. Cotesta; I. Tavernelli; E. E. Di Iorio
Biophysical Journal. 2003. Vol. 85, num. 4, p. 2633 – 2640. DOI : 10.1016/S0006-3495(03)74686-4.I. Tavernelli; S. Cotesta; E. E. Di Iorio
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Journal of Biological Chemistry. 2003. Vol. 278, num. 48, p. 47862 – 47867. DOI : 10.1074/jbc.M305325200.A. Magistrato; W. F. DeGrado; A. Laio; U. Rothlisberger; J. VandeVondele et al.
Journal of Physical Chemistry B. 2003. Vol. 107, num. 17, p. 4182 – 4188. DOI : 10.1021/jp027032o.A. Macchioni; A. Magistrato; I. Orabona; F. Ruffo; U. Rothlisberger et al.
New Journal of Chemistry. 2003. Vol. 27, num. 3, p. 455 – 458. DOI : 10.1039/b212088g.M. Sulpizi; U. Rothlisberger; P. Carloni
Biophysical Journal. 2003. Vol. 84, num. 4, p. 2207 – 2215. DOI : 10.1016/S0006-3495(03)75026-7.M. Sulpizi; A. Laio; J. VandeVondele; A. Cattaneo; U. Rothlisberger et al.
Proteins: Structure, Function, and Genetics. 2003. Vol. 52, num. 2, p. 212 – 224. DOI : 10.1002/prot.10275.U. F. Roehrig; I. Frank; J. Hutter; A. Laio; J. VandeVondele et al.
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Biochemistry. 2003. Vol. 42, num. 29, p. 8720 – 8728. DOI : 10.1021/bi034032l.M. Sulpizi; P. Carloni; J. Hutter; U. Rothlisberger
Physical Chemistry Chemical Physics. 2003. Vol. 5, num. 21, p. 4798 – 4805. DOI : 10.1039/b305846h.I. Tavernelli; R. Vuilleumier; M. Sprik
Physical Review Letters. 2002. Vol. 88, num. 21, p. 213002/1 – 213002/4. DOI : 10.1103/PhysRevLett.88.213002.P. Dotta; A. Magistrato; U. Rothlisberger; P. S. Pregosin; A. Albinati
Organometallics. 2002. Vol. 21, num. 14, p. 3033 – 3041. DOI : 10.1021/om020314q.S. Piana; I. Devillers; A. Togni; U. Rothlisberger
Angewandte Chemie, International Edition. 2002. Vol. 41, num. 6, p. 979 – 982. DOI : 10.1002/1521-3773(20020315)41:6<979::AID-ANIE979>3.0.CO;2-E.A. Laio; J. VandeVondele; U. Rothlisberger
Journal of Physical Chemistry B. 2002. Vol. 106, num. 29, p. 7300 – 7307. DOI : 10.1021/jp0143138.S. Piana; P. Carloni; U. Rothlisberger
Protein Science. 2002. Vol. 11, num. 10, p. 2393 – 2402. DOI : 10.1110/ps.0206702.M. Sulpizi; G. Folkers; U. Rothlisberger; P. Carloni; L. Scapozza
Quantitative Structure-Activity Relationships. 2002. Vol. 21, num. 2, p. 173 – 181. DOI : 10.1002/1521-3838(200207)21:2<173::AID-QSAR173>3.0.CO;2-B.M. C. Colombo; L. Guidoni; A. Laio; A. Magistrato; P. Maurer et al.
Chimia. 2002. Vol. 56, num. 1-2, p. 13 – 19. DOI : 10.2533/000942902777680865.J. VandeVondele; U. Rothlisberger
Journal of Physical Chemistry B. 2002. Vol. 106, num. 1, p. 203 – 208. DOI : 10.1021/jp013346k.J. VandeVondele; U. Rothlisberger
Journal of the American Chemical Society. 2002. Vol. 124, num. 27, p. 8163 – 8171. DOI : 10.1021/ja0126733.L. Guidoni; P. Maurer; S. Piana; U. Rothlisberger
Quantitative Structure-Activity Relationships. 2002. Vol. 21, num. 2, p. 119 – 127. DOI : 10.1002/1521-3838(200207)21:2<119::AID-QSAR119>3.0.CO;2-B.U. F. Roehrig; L. Guidoni; U. Rothlisberger
Biochemistry. 2002. Vol. 41, num. 35, p. 10799 – 10809. DOI : 10.1021/bi026011h.P. Carloni; U. Rothlisberger; M. Parrinello
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Journal of Chemical Physics. 2002. Vol. 116, num. 16, p. 6941 – 6947. DOI : 10.1063/1.1462041.M. Cascella; L. Guidoni; A. Maritan; U. Rothlisberger; P. Carloni
Journal of Physical Chemistry B. 2002. Vol. 106, num. 50, p. 13027 – 13032. DOI : 10.1021/jp026209b.A. Magistrato; P. S. Pregosin; A. Albinati; U. Rothlisberger
Organometallics. 2001. Vol. 20, num. 20, p. 4178 – 4184. DOI : 10.1021/om010485f.S. Loss; A. Magistrato; L. Cataldo; S. Hoffmann; M. Geoffroy et al.
Angewandte Chemie, International Edition. 2001. Vol. 40, num. 4, p. 723 – 726. DOI : 10.1002/1521-3773(20010216)40:4%3C723::AID-ANIE7230%3E3.0.CO;2-8.U. Rothlisberger; B. Kaegi; H. Geyer; J. A. Auer
Schweizer Archiv fur Tierheilkunde. 2001. Vol. 143, num. 6, p. 285 – 93.J. VandeVondele; A. Magistrato; U. Rothlisberger
Inorganic Chemistry. 2001. Vol. 40, num. 23, p. 5780 – 5786. DOI : 10.1021/ic010470+.J. VandeVondele; U. Rothlisberger
Journal of Chemical Physics. 2001. Vol. 115, num. 17, p. 7859 – 7864. DOI : 10.1063/1.1403689.A. Magistrato; M. Merlin; P. S. Pregosin; U. Rothlisberger; A. Albinati
Organometallics. 2000. Vol. 19, num. 18, p. 3591 – 3596. DOI : 10.1021/om000466q.A. Magistrato; J. VandeVondele; U. Rothlisberger
Inorganic Chemistry. 2000. Vol. 39, num. 24, p. 5553 – 5560. DOI : 10.1021/ic000754e.T. K. Woo; G. Pioda; U. Rothlisberger; A. Togni
Organometallics. 2000. Vol. 19, num. 11, p. 2144 – 2152. DOI : 10.1021/om000130g.U. Rothlisberger; P. Carloni; K. Doclo; M. Parrinello
Journal of Biological Inorganic Chemistry. 2000. Vol. 5, num. 2, p. 236 – 250. DOI : 10.1007/s007750050368.U. Burckhardt; G. L. Casty; T. D. Tilley; T. K. Woo; U. Rothlisberger
Organometallics. 2000. Vol. 19, num. 19, p. 3830 – 3841. DOI : 10.1021/om000455x.J. VandeVondele; U. Rothlisberger
Journal of Chemical Physics. 2000. Vol. 113, num. 12, p. 4863 – 4868. DOI : 10.1063/1.1289527.G. R. Martinez; P. Di Mascio; M. G. Bonini; O. Augusto; K. Briviba et al.
Proceedings of the National Academy of Sciences of the United States of America. 2000. Vol. 97, num. 19, p. 10307 – 12. DOI : 10.1073/pnas.190256897.M. Sprik; U. Rothlisberger; M. L. Klein
Molecular Physics. 1999. Vol. 97, num. 3, p. 355 – 373. DOI : 10.1080/00268979909482837.U. Rothlisberger; M. Sprik; M. L. Klein
Journal of the Chemical Society, Faraday Transactions. 1998. Vol. 94, num. 4, p. 501 – 508. DOI : 10.1039/A707860I.E. E. Di Iorio; I. Tavernelli; W. Yu
Biophysical Journal. 1997. Vol. 73, num. 5, p. 2742 – 2751. DOI : 10.1016/S0006-3495(97)78303-6.U. Roethlisberger; M. Parrinello
Journal of Chemical Physics. 1997. Vol. 106, num. 11, p. 4658 – 4664. DOI : 10.1063/1.473988.M. Sprik; U. Roethlisberger; M. L. Klein
Journal of Physical Chemistry B. 1997. Vol. 101, num. 15, p. 2745 – 2749. DOI : 10.1021/jp963333k.K. M. Bottomley; N. Borkakoti; D. Bradshaw; P. A. Brown; M. J. Broadhurst et al.
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European journal of biochemistry. 1996. Vol. 236, num. 3, p. 996 – 1002. DOI : 10.1111/j.1432-1033.1996.00996.x.U. Rothlisberger; K. Laasonen; M. L. Klein; M. Sprik
Journal of Chemical Physics. 1996. Vol. 104, num. 10, p. 3692 – 700. DOI : 10.1063/1.471023.U. Roethlisberger; M. L. Klein
Journal of the American Chemical Society. 1995. Vol. 117, num. 1, p. 42 – 8. DOI : 10.1021/ja00106a005.C. Yeretzian; U. Roethlisberger; E. Schumacher
Chemical Physics Letters. 1995. Vol. 237, num. 3,4, p. 334 – 8. DOI : 10.1016/0009-2614(95)00310-Z.U. Rothlisberger; M. L. Klein; M. Sprik
Journal of Materials Chemistry. 1994. Vol. 4, num. 6, p. 793 – 803. DOI : 10.1039/JM9940400793.U. Roethlisberger; W. Andreoni; M. Parrinello
Physical Review Letters. 1994. Vol. 72, num. 5, p. 665 – 668. DOI : 10.1103/PhysRevLett.72.665.U. Roethlisberger; M. L. Klein
Chemical Physics Letters. 1994. Vol. 227, num. 4-5, p. 390 – 395. DOI : 10.1016/0009-2614(94)00852-3.M. Sprik; E. Delamarche; B. Michel; U. Roethlisberger; M. L. Klein et al.
Langmuir. 1994. Vol. 10, num. 11, p. 4116 – 30. DOI : 10.1021/la00023a035.U. Roethlisberger; W. Andreoni
Chemical Physics Letters. 1992. Vol. 198, num. 5, p. 478 – 482. DOI : 10.1016/0009-2614(92)80031-6.U. Roethlisberger; W. Andreoni
International Journal of Modern Physics B. 1992. Vol. 6, num. 23-24, p. 3675 – 9. DOI : 10.1142/S0217979292001730.U. Roethlisberger; W. Andreoni; P. Giannozzi
Journal of Chemical Physics. 1992. Vol. 96, num. 2, p. 1248 – 1256. DOI : 10.1063/1.462161.U. Roethlisberger; W. Andreoni
Zeitschrift für Physik D : Atoms, Molecules and Clusters. 1991. Vol. 20, num. 1-4, p. 243 – 246. DOI : 10.1007/BF01543983.U. Heiz; U. Roethlisberger; A. Vayloyan; E. Schumacher
Israel Journal of Chemistry. 1990. Vol. 30, num. 1-2, p. 147 – 155. DOI : 10.1002/ijch.199000015.U. Roethlisberger; M. Schaer; E. Schumacher
Zeitschrift für Physik D : Atoms, Molecules and Clusters. 1989. Vol. 13, num. 2, p. 171 – 178. DOI : 10.1007/BF01398587.M. M. Kappes; M. Schaer; U. Roethlisberger; C. Yeretzian; E. Schumacher
Chemical Physics Letters. 1988. Vol. 143, num. 3, p. 251 – 8. DOI : 10.1016/0009-2614(88)87376-7.E. Schumacher; F. Blatter; M. Frey; U. Heiz; U. Roethlisberger et al.
Chimia. 1988. Vol. 42, num. 11, p. 357 – 76.