Zobrazeno 1 - 10
of 251
pro vyhledávání: '"Ab Initio quantum chemical calculations"'
Publikováno v:
Journal of Physical Chemistry Letters
Journal of Physical Chemistry Letters, 2023, 14 (15), pp.3727-3734. ⟨10.1021/acs.jpclett.3c00699⟩
Journal of Physical Chemistry Letters, 2023, 14 (15), pp.3727-3734. ⟨10.1021/acs.jpclett.3c00699⟩
International audience; The change of molecular dipole moment induced by photon absorption is key to interpret the measured optical spectra. Except for compact molecules, time-dependent density functional theory (TD-DFT) remains the only theory allow
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b6590cc33bb1888f77b154b3e743b81a
https://hal.science/hal-04137107
https://hal.science/hal-04137107
Autor:
C. Koo, Markus Enders, Msia Tavhelidse, Abinash Swain, Markus Hiller, Gopalan Rajaraman, Michael Großhauser, Rüdiger Klingeler, Peter Comba, Dennis Müller, Hubert Wadepohl
Publikováno v:
Chemistry (Weinheim an Der Bergstrasse, Germany)
Reported are single crystal SQUID and single crystal high‐frequency/high‐field EPR data of a trinuclear complex with a rare six‐coordinate coordination sphere of a DyIII center coupled to two terminal six‐coordinate NiII ions. The analysis of
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::01f844c87e0f00e3bc2b1607717809a9
https://doi.org/10.1002/chem.202100626
https://doi.org/10.1002/chem.202100626
Autor:
Radić-Perić Jelena, Perić Miljenko, Kasalica Bećko, Krmar Marija, Stojadinović Stevan, Sarvan Mirjana, Ranković Radomir
Publikováno v:
Journal of the Serbian Chemical Society, Vol 77, Iss 11, Pp 1483-1528 (2012)
During plasma electrolytic oxidation of a magnesium alloy (96% Mg, 3% Al, 1% Zn) we obtained a luminescence spectrum in the wave number range between 19 950 and 20 400 cm-1. The broad peak with clearly pronounced structure was assigned to the v’-v
Externí odkaz:
https://doaj.org/article/0861d79320524fe498704a77bf260f85
Akademický článek
Tento výsledek nelze pro nepřihlášené uživatele zobrazit.
K zobrazení výsledku je třeba se přihlásit.
K zobrazení výsledku je třeba se přihlásit.
Autor:
Jelena Radić-Perić, Radomir Ranković, Miljenko Perić, B. Kasalica, Marija Krmar, Mirjana Sarvan, Stevan Stojadinović
Publikováno v:
Journal of the Serbian Chemical Society, Vol 77, Iss 11, Pp 1483-1528 (2012)
During plasma electrolytic oxidation of a magnesium alloy (96% Mg, 3% Al, 1% Zn) we obtained a luminescence spectrum in the wave number range between 19 950 and 20 400 cm-1. The broad peak with clearly pronounced structure was assigned to the v’-v
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::fd59c7de55a9e1f6389d5f866b9d5d36
https://doi.org/10.2298/jsc120912105r
https://doi.org/10.2298/jsc120912105r
Akademický článek
Tento výsledek nelze pro nepřihlášené uživatele zobrazit.
K zobrazení výsledku je třeba se přihlásit.
K zobrazení výsledku je třeba se přihlásit.
Publikováno v:
Chemical Physics
Chemical Physics, Elsevier, 2003, 290, pp.267-278. ⟨10.1016/s0301-0104(03)00148-4⟩
Chemical Physics, Elsevier, 2003, 290 (2-3), pp.267-278. ⟨10.1016/S0301-0104(03)00148-4⟩
Chemical Physics, Elsevier, 2003, 290, pp.267-278. ⟨10.1016/s0301-0104(03)00148-4⟩
Chemical Physics, Elsevier, 2003, 290 (2-3), pp.267-278. ⟨10.1016/S0301-0104(03)00148-4⟩
International audience; The scanning tunneling microscopy (STM) and atomic force microscopy (AFM) images of two model systems M 1=4 TiS 2 (M ¼ Fe, Ni) were interpreted on the basis of the partial electron density qðr; E F Þ and total electron dens
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::7eb1b35184ea82bd64b53fba399dc2d6
https://hal-univ-pau.archives-ouvertes.fr/hal-03225286/file/tison_Chem.Phys_2003.pdf
https://hal-univ-pau.archives-ouvertes.fr/hal-03225286/file/tison_Chem.Phys_2003.pdf
Publikováno v:
Dalton Transactions 40 (2011), Nr. 25
By reaction of solid As4S4 with gaseous Cl2 at a temperature of 410 K gaseous AsSCl and AsS2Cl are formed. Unexpectedly in AsS2Cl the arsenic is not of formal oxidation state +V but +III: the molecular structure of AsS2Cl is arranged as a 1-chloro-di
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::bc8133c696669d97455852ed3810cc43
Akademický článek
Tento výsledek nelze pro nepřihlášené uživatele zobrazit.
K zobrazení výsledku je třeba se přihlásit.
K zobrazení výsledku je třeba se přihlásit.
Autor:
Mohamed Mohamed Naseer Ali, Anne Imberty, Duraikkannu Loganathan, Serge Pérez, Udayanath Aich, Babu Varghese
Publikováno v:
IndraStra Global.
The biological addition of oligosaccharide structures to asparagine residues of N-glycoproteins influences the properties and bioactivities of these macromolecules. The linkage region constituents, 2-acetamino-2-deoxy-?-D- glucopyranose monosaccharid
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4ac8d3d7060e33a2b337b37c4eebb6d4