CORDIS provides links to public deliverables and publications of HORIZON projects.
Links to deliverables and publications from FP7 projects, as well as links to some specific result types such as dataset and software, are dynamically retrieved from OpenAIRE .
Deliverables
proposal and implementation of standard data formats complying with the H2020 Open Research Data pilot: a data management plan
Publications
Author(s):
Lina Zhang, Sebastian V. Pios, Mikołaj Martyka, Fuchun Ge, Yi-Fan Hou, Yuxinxin Chen, Lipeng Chen, Joanna Jankowska, Mario Barbatti, Pavlo O. Dral
Published in:
Journal of Chemical Theory and Computation, Issue 20, 2024, Page(s) 5043-5057, ISSN 1549-9618
Publisher:
American Chemical Society
DOI:
10.1021/acs.jctc.4c00468
Author(s):
Shuming Bai, Ritam Mansour, Ljiljana Stojanović, Josene M. Toldo, Mario Barbatti
Published in:
Journal of Molecular Modeling, Issue 26/5, 2020, Page(s) 107, ISSN 1610-2940
Publisher:
Springer Verlag
DOI:
10.1007/s00894-020-04355-y
Author(s):
Pavlo O. Dral, Mario Barbatti
Published in:
Nature Reviews Chemistry, Issue 5, 2021, ISSN 2397-3358
Publisher:
Springer Nature
DOI:
10.1038/s41570-021-00278-1
Author(s):
S. Mukherjee, M. Barbatti
Published in:
Results Chem., Issue 4, 2022, Page(s) 100521, ISSN 2211-7156
Publisher:
Elsevier
DOI:
10.1016/j.rechem.2022.100521
Author(s):
Josene M Toldo, Rafael S Mattos, Max Pinheiro Jr, Saikat Mukherjee, Mario Barbatti
Published in:
Journal of Chemical Theory and Computation, 2024, ISSN 1549-9618
Publisher:
American Chemical Society
DOI:
10.1021/acs.jctc.3c01159
Author(s):
E. Ventura, S. Andrade do Monte, M. T. do Casal, M. Pinheiro Jr., J. M. Toldo, M. Barbatti
Published in:
Phys. Chem. Chem. Phys., Issue 14639076, 2022, Page(s) 9403, ISSN 1463-9076
Publisher:
Royal Society of Chemistry
DOI:
10.1039/d2cp00686c
Author(s):
Dral, Pavlo O.; Ge, Fuchun; Xue, Bao-Xin; Hou, Yi-Fan; Pinheiro, Max; Huang, Jianxing; Barbatti, Mario
Published in:
Topics in current chemistry, Issue 379, 2021, ISSN 0340-1022
Publisher:
Springer Verlag
DOI:
10.1007/s41061-021-00339-5
Author(s):
R. Mansour, J. M. Toldo, M. Barbatti.
Published in:
J. Phys. Chem. Lett., Issue 19487185, 2022, Page(s) 6194, ISSN 1948-7185
Publisher:
American Chemical Society
DOI:
10.1021/acs.jpclett.2c01554
Author(s):
Saikat Mukherjee, Max Pinheiro Jr, Baptiste Demoulin, Mario Barbatti
Published in:
Philosophical Transactions of the Royal Society of London, Series A: Physical Sciences and Engineering, Issue 380, 2022, Page(s) 20200382, ISSN 1364-503X
Publisher:
Royal Society of London
DOI:
10.1098/10.1098/rsta-2020-0382
Author(s):
Saikat Mukherjee, Rafael S Mattos, Josene M Toldo, Hans Lischka, Mario Barbatti
Published in:
Journal of Chemical Physics, 2024, ISSN 0021-9606
Publisher:
American Institute of Physics
DOI:
10.1063/5.0203636
Author(s):
Anderson Alves Tomaz, Rafael Souza Mattos, Mario Barbatti
Published in:
Physical Chemistry Chemical Physics, Issue 26, 2024, Page(s) 20785-20798, ISSN 1463-9076
Publisher:
Royal Society of Chemistry
DOI:
10.26434/chemrxiv-2024-2wg0k-v2
Author(s):
M. Barbatti, M. Bondanza, R. Crespo-Otero, B. Demoulin, P. O. Dral, G. Granucci, F. Kossoski, H. Lischka, B. Mennucci, S. Mukherjee, M. Pederzoli, M. Persico, M. Pinheiro Jr, J. Pittner, F. Plasser, E. Sangiogo Gil, L. Stojanovic
Published in:
J. Chem. Theory Comput., Issue 15499618, 2022, ISSN 1549-9618
Publisher:
American Chemical Society
DOI:
10.1021/acs.jctc.2c00804
Author(s):
Shaoting Liu, Yuhsuan Lee, Lingfang Chen, Jingheng Deng, Tongmei Ma, Mario Barbatti, Shuming Bai
Published in:
Physical Chemistry Chemical Physics, 2024, ISSN 1463-9076
Publisher:
Royal Society of Chemistry
DOI:
10.1039/d4cp00875h
Author(s):
Bao-Xin Xue, Mario Barbatti, Pavlo O. Dral
Published in:
The Journal of Physical Chemistry A, Issue 124/35, 2020, Page(s) 7199-7210, ISSN 1089-5639
Publisher:
American Chemical Society
DOI:
10.1021/acs.jpca.0c05310
Author(s):
Anderson A. Tomaz, Rafael S. Mattos, Mario Barbatti
Published in:
Physical Chemistry Chemical Physics, Issue 26, 2024, Page(s) 20785-20798, ISSN 1463-9076
Publisher:
Royal Society of Chemistry
DOI:
10.1039/d4cp02364a
Author(s):
Pavlo O Dral, Fuchun Ge, Yi-Fan Hou, Peikun Zheng, Yuxinxin Chen, Mario Barbatti, Olexandr Isayev, Cheng Wang, Bao-Xin Xue, Max Pinheiro Jr, Yuming Su, Yiheng Dai, Yangtao Chen, Lina Zhang, Shuang Zhang, Arif Ullah, Quanhao Zhang, Yanchi Ou
Published in:
Journal of Chemical Theory and Computation, 2024, ISSN 1549-9618
Publisher:
American Chemical Society
DOI:
10.1021/acs.jctc.3c01203
Author(s):
Mario Barbatti
Published in:
Journal of Chemical Theory and Computation, 2021, ISSN 1549-9618
Publisher:
American Chemical Society
DOI:
10.1021/acs.jctc.1c00012
Author(s):
Mario Barbatti
Published in:
Journal of Chemical Theory and Computation, Issue 16/8, 2020, Page(s) 4849-4856, ISSN 1549-9618
Publisher:
American Chemical Society
DOI:
10.1021/acs.jctc.0c00501
Author(s):
Saikat Mukherjee, Moumita Kar, Mansi Bhati, Xing Gao, Mario Barbatti
Published in:
Theoretical Chemistry Accounts, 2023, ISSN 1432-2234
Publisher:
Springer
DOI:
10.1007/s00214-023-03020-w
Author(s):
Mario Barbatti
Published in:
Journal of Chemical Physics, 2022, Page(s) accepted, ISSN 0021-9606
Publisher:
American Institute of Physics
DOI:
10.26434/chemrxiv-2022-5kr7s-v2
Author(s):
Mariana T Do Casal, Josene M Toldo, Mario Barbatti, Felix Plasser
Published in:
Chemical Science, 2023, ISSN 2041-6539
Publisher:
RSC
DOI:
10.1039/d2sc06990c
Author(s):
R. Mansour, S. Mukherjee, M. Pinheiro Jr, J. A. Noble, C. Jouvet, M. Barbatti
Published in:
Phys. Chem. Chem. Phys., Issue 14639076, 2022, Page(s) 1234c, ISSN 1463-9076
Publisher:
Royal Society of Chemistry
DOI:
10.1039/d2cp01056a
Author(s):
Josene M Toldo, Mariana T Do Casal, Elizete Ventura, Silmar A Do Monte, Mario Barbatti
Published in:
Physical Chemistry Chemical Physics, 2023, ISSN 1463-9084
Publisher:
RSC
DOI:
10.1039/d3cp00247k
Author(s):
M. Bondanza, B. Demoulin, F. Lipparini, M. Barbatti, B. Mennucci
Published in:
J. Phys. Chem. A, Issue 10895639, 2022, Page(s) 6780, ISSN 1089-5639
Publisher:
American Chemical Society
DOI:
10.1021/acs.jpca.2c04756
Author(s):
Mariana T. do Casal; Josene M. Toldo; Max Pinheiro; Mario Barbatti
Published in:
Open Research Europe, Issue 1, 2021, ISSN 2732-5121
Publisher:
F1000 Research Limited
DOI:
10.12688/openreseurope.13624.1
Author(s):
Max Pinheiro; Fuchun Ge; Nicolas Ferré; Pavlo O. Dral; Mario Barbatti; Mario Barbatti
Published in:
Chemical Science, Issue 12, 2021, ISSN 2041-6520
Publisher:
Royal Society of Chemistry
DOI:
10.1039/d1sc03564a
Author(s):
Jack Dalton, Josene M. Toldo, Florent Allais, Mario Barbatti, and Vasilios G. Stavros
Published in:
Journal of Physical Chemistry Letters, 2023, ISSN 1948-7185
Publisher:
American Chemical Society
DOI:
10.1021/acs.jpclett.3c02134
Author(s):
G. Braun, I. Borges Jr, A. Aquino, H. Lischka, F. Plasser, S. A. do Monte, E. Ventura, S. Mukherjee, M. Barbatti
Published in:
J. Chem. Phys., Issue 10895639, 2022, ISSN 1089-5639
Publisher:
American Chemical Society
DOI:
10.1063/5.0113908
Author(s):
Jakub Martinka, Marek Pederzoli, Mario Barbatti, Pavlo O. Dral, Jiří Pittner
Published in:
The Journal of Chemical Physics, Issue 161, 2024, Page(s) 174104, ISSN 0021-9606
Publisher:
American Institute of Physics
DOI:
10.1063/5.0230176
Author(s):
Rafael S. Mattos, Saikat Mukherjee, Mario Barbatti
Published in:
Journal of Chemical Theory and Computation, Issue 20, 2024, Page(s) 7728–7743, ISSN 1549-9618
Publisher:
American Chemical Society
DOI:
10.1021/acs.jctc.4c00783
Author(s):
S. Mukherjee, M. Barbatti
Published in:
J. Chem. Theory Comp, Issue 15499618, 2022, Page(s) 4109, ISSN 1549-9618
Publisher:
American Chemical Society
DOI:
10.1021/acs.jctc.2c00216
Author(s):
Mariana Yoshinaga, Josene M. Toldo, Willian R. Rocha, Mario Barbatti
Published in:
Physical Chemistry Chemical Physics, Issue 26, 2024, Page(s) 24179-24188, ISSN 1463-9076
Publisher:
Royal Society of Chemistry
DOI:
10.1039/d4cp02373k
Author(s):
Ritam Mansour, Josene M Toldo, Saikat Mukherjee, Max Pinheiro Jr, Mario Barbatti
Published in:
Physical Chemistry Chemical Physics, 2023, ISSN 1463-9084
Publisher:
RSC
DOI:
10.1039/d3cp03234e
Author(s):
Max Pinheiro Jr, Shuang Zhang, Pavlo O. Dral, Mario Barbatti
Published in:
Scientific Data, 2023, ISSN 2052-4463
Publisher:
Nature
DOI:
10.1038/s41597-023-01998-3
Author(s):
Mario Barbatti
Published in:
Aeon Magazine, 2023
Publisher:
Aeon Media Group Ltd.
Author(s):
Mario Barbatti
Published in:
IAI News, 2024
Publisher:
The Institute of Art and Ideas
Author(s):
Giovanni Parolin, Bidhan Chandra Garain, Saikat Mukherjee, Giovanni Granucci, Stefano Corni, Mario Barbatti
Published in:
ChemRxiv, 2024, ISSN 2573-2293
Publisher:
ChemRxiv
DOI:
10.26434/chemrxiv-2024-8hwr5
Author(s):
Vasilios Stavros, Jack Woolley, Natercia Rodrigues, Josene Toldo, Benjamin Rioux, Chris Groves, Xandra Schrama, Jimmy Alarcan, Temitope Abiola, Matthieu Mention, Mariana Casal, Simon Greenough, Wybren Jan Buma, Michael Ashfold, Albert Braeuning, Teun Munnik, Keara Franklin, Florent Allais, Mario Barbatti
Published in:
Research Square, 2024, ISSN 2693-5015
Publisher:
Research Square Platform LLC
DOI:
10.21203/rs.3.rs-3466431/v1
Author(s):
Rafael Souza Mattos, Saikat Mukherjee, Mario Barbatti
Published in:
ChemRxiv, 2024, ISSN 2573-2293
Publisher:
ChemRxiv
DOI:
10.26434/chemrxiv-2024-c2l4j
Author(s):
SAIKAT MUKHERJEE, Yorick Lassmann, Rafael S. Mattos, Baptiste Demoulin, Basile F. E. Curchod, Mario Barbatti
Published in:
ChemRxiv, 2024, ISSN 2573-2293
Publisher:
ChemRxiv
DOI:
10.26434/chemrxiv-2024-j7xxl
Author(s):
Matheus O. Bispo, Mario Barbatti
Published in:
ChemRxiv, 2024, ISSN 2573-2293
Publisher:
ChemRxiv
DOI:
10.26434/chemrxiv-2024-sqf2v
Author(s):
Max Pinheiro Jr., Matheus O. Bispo, Rafael S. Mattos, Mariana Telles do Casal, Bidhan Chandra Garain, Josene M. Toldo, Saikat Mukherjee, Mario Barbatti
Published in:
ChemRxiv, 2024, ISSN 2573-2293
Publisher:
ChemRxiv
DOI:
10.26434/chemrxiv-2024-32h0p
Author(s):
Mikołaj Martyka, Lina Zhang, Fuchun Ge, Yi-Fan Hou, Joanna Jankowska, Mario Barbatti, Pavlo O. Dral
Published in:
ChemRxiv, 2024, ISSN 2573-2293
Publisher:
ChemRxiv
DOI:
10.26434/chemrxiv-2024-dtc1w
Author(s):
Ali Al-Jaaidi, Josene M. Toldo, Mario Barbatti
Published in:
ChemRxiv, 2024, ISSN 2573-2293
Publisher:
ChemRxiv
DOI:
10.26434/chemrxiv-2024-8k5qd
Author(s):
Ritam Mansour
Published in:
PhD Thesis, 2022
Publisher:
Aix Marseille University
DOI:
10.5281/zenodo.7451091
Author(s):
L. Zhang, A. Ullah, M. Pinheiro Jr, P. O. Dral, M. Barbatti
Published in:
Quantum chemistry in the age of machine learning, 2022, Page(s) 329, ISBN 9780323900492
Publisher:
Elsevier
DOI:
10.1016/b978-0-323-90049-2.00008-1
Searching for OpenAIRE data...
There was an error trying to search data from OpenAIRE
No results available