Rezultaty
ESR training finalized submission of PhD theses M45
Progress report by ESRsSubmission of progress report I and II by ESRs M21 and M34
Non-radiative decay channelsPresentation of nonradiative decay channel studies in organic chromophores embedded in a molecular environment in M42
Fluorescence probesPresentation of novel optical probes for fluorescence sensing in M42
Kohn–Sham matrix & CASSCF on GPUsImplementation of KohnSham matrix construction on GPUs for use in DFT linear and nonlinear response theory and realtime propagation and of a fast CASSCF code on GPUs for benchmark purposes in M33
Progress ReportReport on progress of COSINE will be delivered to the EU;
Methods for Raman/ROA spectroscopiesDevelopment of a multiscale QMMM protocol for the calculation of resonance spectroscopies Resonance Raman and Resonance Raman Optical Activity of probes intercalated in DNA Demonstration of the extension of the CPP formalism to RR and ROA spectroscopies in M27
Methods for OPA spectra of solvated systemsPresentation of methods for the calculation of one-photon absorption (OPA) spectra for solvated systems in M24;
Real-time propagation implemetationImplementation of a computer program for the realtime propagation Demonstration of program implementation of working formulas from D16 in M39
Photovoltaic devicesPresentation of design concepts for photovoltaic devices in M42
Molecules with MChD responsePresentation of molecules with detectable MChD signals in M42
Real-time propagationDevelop time propagation algorithms that enable the calculation of the timedependence of the dipole moment Formulation of working formulas to realtime propagation at DFT and CC levels of theory in M2133
ADC (damped) response functionsPresentation of matrix formulations of regular and damped linear, quadratic, and cubic response functions for ADC(2) andADC(3) as well as damped linear response functions for MC-srDFT in M21;
Thesis draftsSubmission of first draft of thesis to supervisorTAC M44
Intercalation in DNAPresentation of study on intercalation of chromophores in DNA in M42
Methods for CD spectroscopiesDevelopment of standard and damped responsetheory based approaches and protocols to simulate nonlinear spectroscopies in presence of externalinternal magnetic fields and chiral spectroscopies of molecular species in excited states Presentation of methods for the calculation MCD MChD NSCD eECD and eVCD spectroscopies in M2133
New embedding model formulationsDevelopment of new multiscale simulation strategies tailored for accurate prediction of vibrational and especially electronic properties of molecules embedded in complex environments. Formulation of new methods for inclusion of environmental effects into QC methods in M21;
ADC program implementationDemonstration of program implementation of working formulas from D11 in M33
Publications startingPublications in international journals starting (M15);
Personal career development plansPersonal career development plan prepared;
Protocols for excitation energies of solvated dyesReport on protocols for accurate description of excitation energies of solvated dyes in M27
CD program implementationImplementation of standard and damped responsetheory based approaches and protocols to simulate nonlinear spectroscopies in presence of externalinternal magnetic fields and chiral spectroscopies of molecular species in excited states Demonstration of program implementation of working formulas in M2739
CC damped/multilevel response functionsFormulation of damped/multilevel nonlinear response theory for CC wave function theory in M21;
Environmental effects on absorption/vibrational spectraInclusion of environmental contributions to absorptionvibrational poperties in M31
X-ray program implementationImplementation of computer program for the calculation of linear and nonlinear Xray spectroscopies Demonstration of program implementation of working formulas in M33
Covalent organic frameworksPresentation on chargeseparation mechanism in covalent organic frameworks in M42
Environmental effects in ADC modelPolarizable embedding strategies will be developed and implemented for the inclusion of environmental effects in ADC calculations Formulation and implementation of PE within the framework of ADC in M35
Protein probe interactionsPresentation of binding mechanisms of luminescent conjugated oligothiophenes to proteins in M42
Formulation of design principlesNew concrete suggestions for molecules to be used as probes for sensing in cellular membranes Formulation of design principles of new membrane probes in M42
Methods for X-ray/PES spectroscopiesDevelopment of standard and damped response-theory based approaches routed on the CC family of wave-function approximations to simulate linear and non-linear spectroscopies in the highly energetic X-ray region. Presentation of numerical methods for advanced X-ray/photoelectron spectroscopies in M21;
CC program implementationDemonstration of program implementation of working formulas of dampedmultilevel nonlinear response theory for CC wave function theory from D13 in M27
Onsite and webbased board meetings M148
Recruitment of administrative assistantRecruitment of administrative assistant at UHEI completed (M1);
Secondments completedAll secondments completed M43
Research training courses completedNetworkwide research training courses completed M43 ESR training additionally includes organization of the workshop
Annual Workshops1st and 2nd annual COSINE workshop (M17 & M30) – ESR training additionally includes organization of the workshop;
Closing of networkClosing of network activities M48
Participation in international meetingsActive participations in international meetings M1545 posters or oral presentations by the ESRs
COSINE Schools1st and 2nd COSINE school (M21 and M36);
Complementary skills courses completedNetworkwide complementary skills courses completed M45
Training at kick-off meetingTraining at COSINE kick-off meeting (M11);
Communication of ideasresults to stakeholders in the privatepublic sectors M948
Setup COSINE-wikiSet-up of COSINE wiki (M6) – further progressive build-up throughout the COSINE funding period;
Outreach – General publicParticipation in Science events for the general public M945
Outreach – SchoolsCommunication of subject to high school students M2132
Setup webpage/facebook/Youtube channelWebpage setup completed (M2);
Data Management Plan presented – yearly revised;
Publikacje
Autorzy:
Egidi, Franco; Giovannini, Tommaso; Del Frate, Gianluca; Lemler, Paul M.; Vaccaro, Patrick H.; Cappelli, Chiara
Opublikowane w:
Physical Chemistry Chemical Physics, Numer 21, 2018, ISSN 1463-9076
Wydawca:
Royal Society of Chemistry
DOI:
10.1039/c8cp04445g
Autorzy:
Peter Reinholdt; Marta L. Vidal; Jacob Kongsted; Marcella Iannuzzi; Sonia Coriani; Michael Odelius
Opublikowane w:
The Journal of Physical Chemistry Letters, Numer 41, 2021, ISSN 1948-7185
Wydawca:
American Chemical Society
DOI:
10.1021/acs.jpclett.1c02031
Autorzy:
Santiago A. Gómez, Natalia Rojas-Valencia, Sara Gómez, Franco Egidi, Chiara Cappelli, Albeiro Restrepo
Opublikowane w:
ChemBioChem, 2020, ISSN 1439-4227
Wydawca:
John Wiley & Sons Ltd.
DOI:
10.1002/cbic.202000618
Autorzy:
Thomas Fransson, Iulia E. Brumboiu, Marta L. Vidal, Patrick Norman, Sonia Coriani, and Andreas Dreuw
Opublikowane w:
Journal of Chemical Theory and Computation, 2021, ISSN 1549-9618
Wydawca:
American Chemical Society
DOI:
10.1021/acs.jctc.0c01082
Autorzy:
Alexander C. Paul; Rolf H. Myhre; Henrik Koch
Opublikowane w:
J. Chem. Theory Comput., Numer 1, 2021, ISSN 1549-9618
Wydawca:
American Chemical Society
DOI:
10.1021/acs.jctc.0c00686
Autorzy:
Sarai D. Folkestad; Henrik Koch
Opublikowane w:
J. Chem. Theory Comput., Numer 11, 2020, ISSN 1549-9618
Wydawca:
American Chemical Society
DOI:
10.1021/acs.jctc.0c00707
Autorzy:
Laurens D. M. Peters, Jörg Kussmann, Christian Ochsenfeld
Opublikowane w:
The Journal of Chemical Physics, Numer 153/9, 2020, Strona(/y) 094104, ISSN 0021-9606
Wydawca:
American Institute of Physics
DOI:
10.1063/5.0016487
Autorzy:
Giovannini, Tommaso; Lafiosca, Piero; Chandramouli, Balasubramanian; Barone, Vincenzo; Cappelli, Chiara
Opublikowane w:
The Journal of Chemical Physics, Numer 13, 2019, ISSN 0021-9606
Wydawca:
American Institute of Physics
DOI:
10.1063/1.5080810
Autorzy:
Folkestad, S. D., Kjønstad, E. F., Myhre, R. H., Andersen, J. H., Balbi, A., Coriani, S., Giovannini, T., Goletto, L., Haugland, T. S., Hutcheson, A., Høyvik, I-M., Moitra, T., Paul, A. C., Scavino, M., Skeidsvoll, A. S., Tveten, Å. H., and Koch, H.
Opublikowane w:
The Journal of Chemical Physics, 2020, ISSN 0021-9606
Wydawca:
American Institute of Physics
DOI:
10.1063/5.0004713
Autorzy:
Giovannini, Tommaso; Riso, Rosario Roberto; Ambrosetti, Matteo; Puglisi, Alessandra; Cappelli, Chiara
Opublikowane w:
The Journal of Chemical Physics, Numer 15, 2019, ISSN 0021-9606
Wydawca:
American Institute of Physics
DOI:
10.1063/1.5121396
Autorzy:
Tor S. Haugland; Enrico Ronca; Eirik F. Kjønstad; Angel Rubio; Angel Rubio; Henrik Koch
Opublikowane w:
Physical Review X, Numer 14, 2020, ISSN 2160-3308
Wydawca:
American Physical Society
DOI:
10.1103/physrevx.10.041043
Autorzy:
Manuel Brand; Karan Ahmadzadeh; Xin Li; Zilvinas Rinkevicius; Wissam A. Saidi; Patrick Norman
Opublikowane w:
The Journal of Chemical Physics, Numer 32, 2021, ISSN 0021-9606
Wydawca:
American Institute of Physics
DOI:
10.1063/5.0040009
Autorzy:
Gómez, Sara, Natalia Rojas-Valencia, Tommaso Giovannini, Albeiro Restrepo, Chiara Cappelli
Opublikowane w:
Molecules, 2022, ISSN 1420-3049
Wydawca:
Multidisciplinary Digital Publishing Institute (MDPI)
DOI:
10.3390/molecules27020442
Autorzy:
Skoko, Sulejman, Matteo Ambrosetti, Tommaso Giovannini, Chiara Cappelli
Opublikowane w:
Molecules, 2020, ISSN 1420-3049
Wydawca:
Multidisciplinary Digital Publishing Institute (MDPI)
DOI:
10.3390/molecules25245853
Autorzy:
Sara Gómez; Natalia Rojas-Valencia; Santiago A. Gómez; Chiara Cappelli; Gabriel Merino; Albeiro Restrepo
Opublikowane w:
Chemical Science, Numer 5, 2021, ISSN 2041-6520
Wydawca:
Royal Society of Chemistry
DOI:
10.1039/d1sc02673a
Autorzy:
Mikael Scott, Dirk R. Rehn, Patrick Norman, and Andreas Dreuw
Opublikowane w:
The Journal of Physical Chemistry Letters, 2021, ISSN 1948-7185
Wydawca:
American Chemical Society
DOI:
10.1021/acs.jpclett.1c00839
Autorzy:
Shota Tsuru; Marta L. Vidal; Mátyás Pápai; Anna I. Krylov; Klaus B. Møller; Sonia Coriani
Opublikowane w:
Structural Dynamics, Numer 39, 2021, ISSN 2329-7778
Wydawca:
AIP Publishing
DOI:
10.1063/4.0000070
Autorzy:
Battisti, Antonella; Ambrosetti, Matteo; Ruggeri, Giacomo; Cappelli, Chiara; Pucci, Andrea
Opublikowane w:
Physical Chemistry Chemical Physics, Numer 31, 2018, ISSN 1463-9076
Wydawca:
Royal Society of Chemistry
DOI:
10.1039/c8cp04450c
Autorzy:
Kjønstad, Eirik F.; Koch, Henrik
Opublikowane w:
J. Chem. Theory Comput., Numer 1, 2021, ISSN 1549-9618
Wydawca:
American Chemical Society
DOI:
10.1021/acs.jctc.0c00730
Autorzy:
Torsha Moitra; Piero Decleva; Sonia Coriani
Opublikowane w:
Journal of Chemical Theory and Computation, Numer 17, 2021, Strona(/y) 5064-5079, ISSN 1549-9618
Wydawca:
American Chemical Society
DOI:
10.1021/acs.jctc.1c00303
Autorzy:
Sarai D. Folkestad; Eirik F. Kjønstad; Linda Goletto; Henrik Koch
Opublikowane w:
J. Chem. Theory Comput., Numer 5, 2021, ISSN 1549-9618
Wydawca:
American Chemical Society
DOI:
10.1021/acs.jctc.0c00590
Autorzy:
Jógvan Magnus Haugaard Olsen; Simen Reine; Olav Vahtras; Erik Rosendahl Kjellgren; Peter Reinholdt; Karen O.H Dundas; Xin Li; Janusz Cukras; Magnus Ringholm; Erik D. Hedegård; Roberto Di Remigio; Nanna Holmgaard List; Rasmus Faber; Bruno Nunes Cabral Tenorio; Radovan Bast; Thomas Bondo Pedersen; Zilvinas Rinkevicius; Stephan P. A. Sauer; Kurt V. Mikkelsen; Jacob Kongsted; Sonia Coriani; Kenneth
Opublikowane w:
The Journal of Chemical Physics, Numer 68, 2020, ISSN 0021-9606
Wydawca:
American Institute of Physics
DOI:
10.1063/1.5144298
Autorzy:
Karan Ahmadzadeh; Mikael Scott; Manuel Brand; Olav Vahtras; Xin Li; Zilvinas Rinkevicius; Zilvinas Rinkevicius; Patrick Norman
Opublikowane w:
The Journal of Chemical Physics, Numer 29, 2021, ISSN 0021-9606
Wydawca:
American Institute of Physics
DOI:
10.1063/5.0031851
Autorzy:
Santiago A. Gómez, Natalia Rojas-Valencia, Sara Gómez, Chiara Cappelli, Albeiro Restrepo
Opublikowane w:
ChemBioChem, 2021, ISSN 1439-4227
Wydawca:
John Wiley & Sons Ltd.
DOI:
10.1002/cbic.202100393
Autorzy:
Thomas J. A. Wolf; Alexander C. Paul; Sarai D. Folkestad; Rolf H. Myhre; James P. Cryan; Nora Berrah; Phil Bucksbaum; Sonia Coriani; Giacomo Coslovich; Raimund Feifel; Todd J. Martínez; Stefan Moeller; Melanie Mucke; Razib Obaid; Oksana Plekan; R. J. Squibb; Henrik Koch; Markus Guehr
Opublikowane w:
Faraday Discussions, Numer 28, 2021, ISSN 1359-6640
Wydawca:
Royal Society of Chemistry
DOI:
10.1039/d0fd00112k
Autorzy:
Giovannini, Tommaso; Grazioli, Laura; Ambrosetti, Matteo; Cappelli, Chiara
Opublikowane w:
Journal of Chemical Theory and Computation, Numer 20, 2019, ISSN 1549-9618
Wydawca:
American Chemical Society
DOI:
10.1021/acs.jctc.9b00574
Autorzy:
Irene Tosi, Brunella Bardi, Matteo Ambrosetti, Edoardo Domenichini, Alessandro Iagatti, Laura Baldini, Chiara Cappelli, Mariangela Di Donato, Francesco Sansone, Cristina Sissa, Francesca Terenziani
Opublikowane w:
Dyes and Pigments, 2019, ISSN 0143-7208
Wydawca:
Elsevier BV
DOI:
10.1016/j.dyepig.2019.107652
Autorzy:
Sara Gómez; Tommaso Giovannini; Chiara Cappelli
Opublikowane w:
Physical Chemistry Chemical Physics, Numer 6, 2020, ISSN 1463-9076
Wydawca:
Royal Society of Chemistry
DOI:
10.1039/c9cp05420k
Autorzy:
Di Remigio, Roberto; Giovannini, Tommaso; Ambrosetti, Matteo; Cappelli, Chiara; Frediani, Luca
Opublikowane w:
Journal of Chemical Theory and Computation, Numer 3, 2019, ISSN 1549-9618
Wydawca:
American Chemical Society
DOI:
10.1021/acs.jctc.9b00305
Autorzy:
Davide Luise, Liam Wilbraham, Frederic Labat, Ilaria Ciofini
Opublikowane w:
Journal of computational chemistry, 2021, Strona(/y) 1212-1224, ISSN 1096-987X
Wydawca:
Wiley
DOI:
10.1002/jcc.26534
Autorzy:
Kaushik D. Nanda, Marta L. Vidal, Rasmus Faber, Sonia Coriani, and Anna I. Krylov
Opublikowane w:
Physical Chemistry Chemical Physics, 2020, ISSN 1463-9084
Wydawca:
Royal Society of Chemistry
DOI:
10.1039/c9cp03688a
Autorzy:
Prioli, S., Kongsted, J.
Opublikowane w:
Theoretical Chemistry Accounts, Numer 140, 2021, Strona(/y) 138, ISSN 1432-881X
Wydawca:
Springer Verlag
DOI:
10.1007/s00214-021-02838-6
Autorzy:
Torsha Moitra, Sonia Coriani and Bruno Nunes Cabral Tenorio
Opublikowane w:
Molecular Physics, 2021, ISSN 0026-8976
Wydawca:
Taylor & Francis
DOI:
10.1080/00268976.2021.1980235
Autorzy:
Natalia Rojas-Valencia, Sara Gómez, Sebastian Montillo, Marcela Manrique-Moreno, Chiara Cappelli, Cacier Hadad, Albeiro Restrepo
Opublikowane w:
The Journal of Physical Chemistry B, 2020, ISSN 1520-6106
Wydawca:
American Chemical Society
DOI:
10.1021/acs.jpcb.9b09705
Autorzy:
Yogesh Todarwal; Camilla Gustafsson; Nghia Nguyen Thi Minh; Ingrid Ertzgaard; Therése Klingstedt; Bernardino Ghetti; Ruben Vidal; Carolin König; Mikael Lindgren; K. Peter R. Nilsson; Mathieu Linares; Patrick Norman
Opublikowane w:
The Journal of Physical Chemistry B, Numer 58, 2021, ISSN 1520-6106
Wydawca:
American Chemical Society
DOI:
10.1021/acs.jpcb.1c06019
Autorzy:
Puglisi, Alessandra; Giovannini, Tommaso; Antonov, Liudmil; Cappelli, Chiara
Opublikowane w:
Physical Chemistry Chemical Physics, Numer 10, 2019, ISSN 1463-9076
Wydawca:
Royal Society of Chemistry
DOI:
10.1039/c9cp00907h
Autorzy:
Gómez, Sara; Egidi, Franco; Puglisi, Alessandra; Giovannini, Tommaso; Rossi, Barbara; Cappelli, Chiara
Opublikowane w:
Journal of Molecular Liquids, Numer 9, 2022, ISSN 0167-7322
Wydawca:
Elsevier BV
DOI:
10.1016/j.molliq.2021.117841
Autorzy:
Faber, Rasmus; Kjønstad, Eirik F.; Koch, Henrik; Coriani, Sonia
Opublikowane w:
The Journal of Chemical Physics, 2019, ISSN 0021-9606
Wydawca:
American Institute of Physics
DOI:
10.1063/1.5112164
Autorzy:
Dalibor Hršak, Morten Steen Nørby, Sonia Coriani, Jacob Kongsted
Opublikowane w:
Journal of Chemical Theory and Computation, Numer 14/4, 2018, Strona(/y) 2145-2154, ISSN 1549-9618
Wydawca:
American Chemical Society
DOI:
10.1021/acs.jctc.8b00155
Autorzy:
Bruno Nunes Cabral Tenorio, Torsha Moitra, Marco Antonio Chaer Nascimento, Alexandre Braga Rocha, Sonia Coriani
Opublikowane w:
The Journal of Chemical Physics, Numer 150/22, 2019, Strona(/y) 224104, ISSN 0021-9606
Wydawca:
American Institute of Physics
DOI:
10.1063/1.5096777
Autorzy:
Rolf H. Myhre, Sonia Coriani, Henrik Koch
Opublikowane w:
The Journal of Physical Chemistry A, Numer 123/45, 2019, Strona(/y) 9701-9711, ISSN 1089-5639
Wydawca:
American Chemical Society
DOI:
10.1021/acs.jpca.9b06590
Autorzy:
Marta L. Vidal, Anna I. Krylov, Sonia Coriani
Opublikowane w:
Physical Chemistry Chemical Physics, Numer 22, 2020, Strona(/y) 2693, ISSN 1463-9076
Wydawca:
Royal Society of Chemistry
DOI:
10.1039/c9cp03695d
Autorzy:
Tuo Li, Xue Ma, Daniil Fedotov, Louise Kjaerulff, Karla Frydenvang, Sonia Coriani, Paul Robert Hansen, Kenneth T. Kongstad, Dan Staerk
Opublikowane w:
Molecules, Numer 25/7, 2020, Strona(/y) 1706, ISSN 1420-3049
Wydawca:
Multidisciplinary Digital Publishing Institute (MDPI)
DOI:
10.3390/molecules25071706
Autorzy:
Laurens D. M. Peters, Jörg Kussmann, Christian Ochsenfeld
Opublikowane w:
Journal of Chemical Theory and Computation, Numer 15/12, 2019, Strona(/y) 6647-6659, ISSN 1549-9618
Wydawca:
American Chemical Society
DOI:
10.1021/acs.jctc.9b00859
Autorzy:
Salvatore Prioli, Peter Reinholdt, Mick Hornum, Jacob Kongsted
Opublikowane w:
The Journal of Physical Chemistry B, Numer 123/49, 2019, Strona(/y) 10424-10432, ISSN 1520-6106
Wydawca:
American Chemical Society
DOI:
10.1021/acs.jpcb.9b09691
Autorzy:
Zilvinas Rinkevicius, Xin Li, Olav Vahtras, Karan Ahmadzadeh, Manuel Brand, Magnus Ringholm, Nanna Holmgaard List, Maximilian Scheurer, Mikael Scott, Andreas Dreuw, Patrick Norman
Opublikowane w:
WIREs Computational Molecular Science, 2019, Strona(/y) 1-14, ISSN 1759-0876
Wydawca:
John Wiley & Sons Inc.
DOI:
10.1002/wcms.1457
Autorzy:
Tao Zhu, Jun Su, Frédéric Labat, Ilaria Ciofini, Thierry Pauporté
Opublikowane w:
ACS Applied Materials & Interfaces, Numer 12/1, 2019, Strona(/y) 744-752, ISSN 1944-8244
Wydawca:
American Chemical Society
DOI:
10.1021/acsami.9b18034
Autorzy:
Maximilian Scheurer, Peter Reinholdt, Erik Rosendahl Kjellgren, Jógvan Magnus Haugaard Olsen, Andreas Dreuw, Jacob Kongsted
Opublikowane w:
Journal of Chemical Theory and Computation, Numer 15/11, 2019, Strona(/y) 6154-6163, ISSN 1549-9618
Wydawca:
American Chemical Society
DOI:
10.1021/acs.jctc.9b00758
Autorzy:
David B. Konrad, Gökcen Savasci, Lars Allmendinger, Dirk Trauner, Christian Ochsenfeld, Ahmed M. Ali
Opublikowane w:
Journal of the American Chemical Society, Numer 142/14, 2020, Strona(/y) 6538-6547, ISSN 0002-7863
Wydawca:
American Chemical Society
DOI:
10.1021/jacs.9b10430
Autorzy:
Laurens D. M. Peters, Jörg Kussmann, Christian Ochsenfeld
Opublikowane w:
The Journal of Physical Chemistry Letters, Numer 11/10, 2020, Strona(/y) 3955-3961, ISSN 1948-7185
Wydawca:
American Chemical Society
DOI:
10.1021/acs.jpclett.0c00320
Autorzy:
Torsha Moitra; Pijush Karak; Sayantani Chakraborty; Kenneth Ruud; Swapan Chakrabarti
Opublikowane w:
Physical Chemistry Chemical Physics, Numer 11, 2021, ISSN 1463-9084
Wydawca:
Royal Society of Chemistry
DOI:
10.1039/d0cp05108j
Autorzy:
Eirik F. Kjønstad; Sarai D. Folkestad; Henrik Koch
Opublikowane w:
J. Chem. Phys., Numer 3, 2020, ISSN 0021-9606
Wydawca:
American Institute of Physics
DOI:
10.1063/5.0010989
Autorzy:
Giovannini, Tommaso; Puglisi, Alessandra; Ambrosetti, Matteo; Cappelli, Chiara
Opublikowane w:
Journal of Chemical Theory and Computation, Numer 16, 2019, ISSN 1549-9618
Wydawca:
American Chemical Society
DOI:
10.1021/acs.jctc.8b01149
Autorzy:
Natalia Rojas-Valencia, Sara Gómez, Francisco Núñez-Zarur, Chiara Cappelli, Cacier Hadad, Albeiro Restrepo
Opublikowane w:
The Journal of Physical Chemistry B, 2021, ISSN 1520-6106
Wydawca:
American Chemical Society
DOI:
10.1021/acs.jpcb.1c06766
Autorzy:
Daniil A. Fedotov; Sonia Coriani; Christof Hättig
Opublikowane w:
The Journal of Chemical Physics, Numer 154, 2021, Strona(/y) 124110, ISSN 0021-9606
Wydawca:
American Institute of Physics
DOI:
10.1063/5.0042759
Autorzy:
Mikael Scott; Dirk R. Rehn; Sonia Coriani; Patrick Norman; Andreas Dreuw
Opublikowane w:
The Journal of Chemical Physics, Numer 6, 2021, ISSN 0021-9606
Wydawca:
American Institute of Physics
DOI:
10.1063/5.0038315
Autorzy:
Lina Uribe; Sara Gómez; Tommaso Giovannini; Franco Egidi; Albeiro Restrepo
Opublikowane w:
Physical Chemistry Chemical Physics, Numer 3, 2021, ISSN 1463-9076
Wydawca:
Royal Society of Chemistry
DOI:
10.1039/d1cp00652e
Autorzy:
Torsha Moitra; Diana Madsen; Ove Christiansen; Sonia Coriani
Opublikowane w:
The Journal of Chemical Physics, Numer 19, 2020, ISSN 1089-7690
Wydawca:
AIP Publishing
DOI:
10.1063/5.0030202
Autorzy:
Giovannini, Tommaso; Rosa, Marta; Corni, Stefano; Cappelli, Chiara
Opublikowane w:
Nanoscale, Numer 20, 2019, ISSN 2040-3364
Wydawca:
Royal Society of Chemistry
DOI:
10.1039/c8nr09134j
Autorzy:
Daniil A. Fedotov; Alexander C. Paul; Paolo Posocco; Fabrizio Santoro; Marco Garavelli; Henrik Koch; Sonia Coriani; Sonia Coriani; Roberto Improta
Opublikowane w:
Journal of Chemical Theory and Computation, Numer 43, 2021, ISSN 1549-9618
Wydawca:
American Chemical Society
DOI:
10.1021/acs.jctc.0c01150
Autorzy:
Iulia Emilia Brumboiu, Dirk R. Rehn, Andreas Dreuw, Young Min Rhee, and Patrick Norman
Opublikowane w:
The Journal of Chemical Physics, 2021, ISSN 0021-9606
Wydawca:
American Institute of Physics
DOI:
10.1063/5.0058221
Autorzy:
Ronit Sarangi; M. Vidal; Sonia Coriani; Anna I. Krylov
Opublikowane w:
Molecular Physics, 2020, ISSN 0026-8976
Wydawca:
Taylor & Francis
Autorzy:
Gioia Marrazzini; Tommaso Giovannini; Marco Scavino; Franco Egidi; Chiara Cappelli; Henrik Koch
Opublikowane w:
Journal of Chemical Theory and Computation, Numer 3, 2021, ISSN 1549-9618
Wydawca:
American Chemical Society
DOI:
10.1021/acs.jctc.0c00940
Autorzy:
Dirk R. Rehn; Zilvinas Rinkevicius; Michael F. Herbst; Xin Li; Maximilian Scheurer; Manuel Brand; Adrian L. Dempwolff; Iulia E. Brumboiu; Thomas Fransson; Andreas Dreuw; Patrick Norman
Opublikowane w:
WIREs Computational Molecular Science, Numer 60, 2021, ISSN 1759-0876
Wydawca:
John Wiley & Sons Inc.
DOI:
10.1002/wcms.1528
Autorzy:
Nanna Holmgaard List; Nanna Holmgaard List; Adrian L. Dempwolff; Andreas Dreuw; Patrick Norman; Todd J. Martínez; Todd J. Martínez
Opublikowane w:
Chemical Science, Numer 31, 2020, ISSN 2041-6520
Wydawca:
Royal Society of Chemistry
DOI:
10.26434/chemrxiv.11859183
Autorzy:
Torsha Moitra, Aurora Ponzi, Henrik Koch, Sonia Coriani, and Piero Decleva
Opublikowane w:
The Journal of Physical Chemistry Letters, 2021, ISSN 1948-7185
Wydawca:
American Chemical Society
DOI:
10.1021/acs.jpclett.0c01337
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