Zobrazeno 1 - 10
of 58
pro vyhledávání: '"Debashree Manna"'
Autor:
Tanmoy Ghosh, Debabrata Barman, Krishanu Show, Rabindranath Lo, Debashree Manna, Tapas Ghosh, Dilip K. Maiti
Publikováno v:
ACS Omega, Vol 9, Iss 10, Pp 11510-11522 (2024)
Externí odkaz:
https://doaj.org/article/870496338e574955b005a7f729c99c98
Autor:
Rabindranath Lo, Debashree Manna, Maximilián Lamanec, Martin Dračínský, Petr Bouř, Tao Wu, Guillaume Bastien, Jiří Kaleta, Vijay Madhav Miriyala, Vladimír Špirko, Anna Mašínová, Dana Nachtigallová, Pavel Hobza
Publikováno v:
Nature Communications, Vol 13, Iss 1, Pp 1-7 (2022)
Non covalent complexes are often considerably destabilized in the solvent. Here the authors combine vibrational Raman and NMR spectroscopy with a coupled-cluster computational investigation to show that the solvent polarity enhance the complex stabil
Externí odkaz:
https://doaj.org/article/f934991a34eb4a149fc6d2da128da92e
Autor:
Bruno de la Torre, Martin Švec, Prokop Hapala, Jesus Redondo, Ondřej Krejčí, Rabindranath Lo, Debashree Manna, Amrit Sarmah, Dana Nachtigallová, Jiří Tuček, Piotr Błoński, Michal Otyepka, Radek Zbořil, Pavel Hobza, Pavel Jelínek
Publikováno v:
Nature Communications, Vol 9, Iss 1, Pp 1-9 (2018)
Molecules can change their electronic properties when they are adsorbed on substrates, which can be useful for sensing and catalysis. Here, the authors use atomic force microscopy to show that the spin state of an iron complex can be changed upon dis
Externí odkaz:
https://doaj.org/article/27c0274e844b43339e843db47d211846
Publikováno v:
Chemistry – A European Journal.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::2e7b701665c2d3af2bcb5aa3c372d200
https://doi.org/10.1002/chem.202300635
https://doi.org/10.1002/chem.202300635
Publikováno v:
Chemical Communications. 58:1045-1048
Phosphorous-doped graphene can form a covalent dative bond with the electron acceptor, C60 molecule.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::ac728927d8e480763ce1458d2a1e434a
https://doi.org/10.1039/d1cc05737e
https://doi.org/10.1039/d1cc05737e
Publikováno v:
ChemistrySelect. 8
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::9512fd2e7f8b72515fcca2342f6f068b
https://doi.org/10.1002/slct.202204558
https://doi.org/10.1002/slct.202204558
Autor:
Rabindranath Lo, Weizhou Wang, Martin Dračínský, Maximilián Lamanec, Pavel Hobza, Radek Zbořil, Aristides Bakandritsos, Debashree Manna, Dana Nachtigallová
Publikováno v:
Journal of the American Chemical Society. 143:10930-10939
A combined computational and experimental study reveals the character of the C60 complexes with piperidine formed under different reaction conditions. The IR and NMR experiments detect the dative bond complex, which according to NMR, is stable in the
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::271a7492e28be2d6efe9fdc8f92d5a90
https://doi.org/10.1021/jacs.1c01542
https://doi.org/10.1021/jacs.1c01542
Publikováno v:
The Journal of Physical Chemistry A. 125:2923-2931
The newly synthesized C18 ring is demonstrated as the smallest all-carbon acceptor that exhibits strong electron acceptance. This study provides a quantum-chemical investigation of the electron-acceptance behavior of monocyclic carbon rings with a pa
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::4a44ffc8bac184323ccadfa6b1a0163c
https://doi.org/10.1021/acs.jpca.1c01161
https://doi.org/10.1021/acs.jpca.1c01161
Publikováno v:
Chemical Communications. 57:3363-3366
The P–C dative/covalent bonds formed in R3P–C60 complexes (R = OCH3, N(CH3)2, NC4H8) have been affected by the nature of the R group. The highest stabilisation (18.7 kcal mol−1) has been found in the last system. The contribution of dispersion
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::587b630bc68e3a54c281cfe5e9bf2848
https://doi.org/10.1039/d1cc00038a
https://doi.org/10.1039/d1cc00038a
Autor:
Radek Zbořil, Maximilián Lamanec, Rabindranath Lo, Debashree Manna, Dana Nachtigallová, Weizhou Wang, Aristides Bakandritsos, Martin Dračínský, Pavel Hobza
Publikováno v:
Physical Chemistry Chemical Physics. 23:4365-4375
The combined experimental-computational study has been performed to investigate the complexes formed between C70 carbon allotrope and piperidine. The results of FT-IR, H-NMR, and C-NMR measurements, together with the calculations based on the DFT app
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::afc278e34b962758590f2f43a3311908
https://doi.org/10.1039/d0cp06280d
https://doi.org/10.1039/d0cp06280d