Zobrazeno 1 - 10
of 724
pro vyhledávání: '"A. J. Horsewill"'
Autor:
Michael Jurkutat, Hana Kouřilová, David Peat, Karel Kouřil, Alixander S. Khan, Anthony J. Horsewill, James F. MacDonald, John Owers-Bradley, Benno Meier
Publikováno v:
The Journal of Physical Chemistry Letters. 13:10370-10376
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::45f140d3a377587be525e034863f396a
https://doi.org/10.1021/acs.jpclett.2c02357
https://doi.org/10.1021/acs.jpclett.2c02357
Autor:
Hana Kouřilová, Michael Jurkutat, David Peat, Karel Kouřil, Alixander S. Khan, Anthony J. Horsewill, James F. MacDonald, John Owers-Bradley, Benno Meier
Publikováno v:
Physical Chemistry Chemical Physics, 24 (46), 28242–28249
Radicals serve as source in dynamic nuclear polarization, but may also act as polarization sink. If the coupling between the electron spins and different nuclear reservoirs is stronger than any of the reservoirs' couplings to the lattice, radicals ca
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4513ce5023e64be41b63dae6e4a9305d
https://doi.org/10.1039/d2cp04535d
https://doi.org/10.1039/d2cp04535d
Autor:
George Razvan, Bacanu, Tanzeeha, Jafari, Mohamed, Aouane, Jyrki, Rantaharju, Mark, Walkey, Gabriela, Hoffman, Anna, Shugai, Urmas, Nagel, Monica, Jiménez-Ruiz, Anthony J, Horsewill, Stéphane, Rols, Toomas, Rõõm, Richard J, Whitby, Malcolm H, Levitt
Publikováno v:
The Journal of chemical physics. 155(14)
The interactions between atoms and molecules may be described by a potential energy function of the nuclear coordinates. Nonbonded interactions between neutral atoms or molecules are dominated by repulsive forces at a short range and attractive dispe
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::f8b1a647b5dcef3ed54f4da06931f11f
https://pubmed.ncbi.nlm.nih.gov/34654304
https://pubmed.ncbi.nlm.nih.gov/34654304
Autor:
Mohamed Aouane, Malcolm H. Levitt, Toomas Rõõm, Tanzeeha Jafari, Mónica Jiménez-Ruiz, Urmas Nagel, Mark C. Walkey, Jyrki Rantaharju, George Razvan Bacanu, Stéphane Rols, Gabriela Hoffman, Richard J. Whitby, Anthony J. Horsewill, A. Shugai
Publikováno v:
The Journal of Chemical Physics
'Journal of Chemical Physics ', vol: 155, pages: 144302-1-144302-9 (2021)
'Journal of Chemical Physics ', vol: 155, pages: 144302-1-144302-9 (2021)
The interactions between atoms and molecules may be described by a potential energy function of the nuclear coordinates. Non-bonded interactions are dominated by repulsive forces at short range and attractive dispersion forces at long range. Experime
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::864bdbdf9f5685a2a74fcf9d701b62ea
https://eprints.soton.ac.uk/453081/
https://eprints.soton.ac.uk/453081/
Publikováno v:
Coordination Chemistry Reviews
Coordination Chemistry Reviews, Elsevier, 2021, 437, pp.213830. ⟨10.1016/j.ccr.2021.213830⟩
Coordination Chemistry Reviews, Elsevier, 2021, 437, pp.213830. ⟨10.1016/j.ccr.2021.213830⟩
This review summarizes the progress in organo-f-element chemistry during the year 2019. Organo-f-element chemistry, including Sc, Y, the lanthanides and the actinides, has been a flourishing research area for many years. The mainly ionic and Lewis ac
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::7656978f39c8a742e74799cf62977192
https://hal.archives-ouvertes.fr/hal-03264385
https://hal.archives-ouvertes.fr/hal-03264385
Autor:
James R. Hickson, Joy H. Farnaby, Jake McGuire, Stephen Sproules, Samuel J. Horsewill, Claire Wilson
Publikováno v:
Chemical Communications. 54:11284-11287
Reduction of 1,10-phenanthroline-5,6-dione (pd) with CoCpR2 resulted in the first molecular compounds of the pd˙- semi-quinone radical anion, [CoCpR2]+[pd]˙- (R = H, (1); R = Me4, (2)). Furthermore compounds 1 and 2 were reacted with [Y(hfac)3(thf)
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::bc9c3b133a24cf3f51a10449712bdf19
https://doi.org/10.1039/c8cc05591b
https://doi.org/10.1039/c8cc05591b
Autor:
Minzhong, Xu, Peter M, Felker, Salvatore, Mamone, Anthony J, Horsewill, Stéphane, Rols, Richard J, Whitby, Zlatko, Bačić
Publikováno v:
The journal of physical chemistry letters. 10(18)
Accurate quantum simulations of the low-temperature inelastic neutron scattering (INS) spectra of HF@C
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::165161bca092c9f879ecdcc14b4b80ca
https://pubmed.ncbi.nlm.nih.gov/31454486
https://pubmed.ncbi.nlm.nih.gov/31454486
Autor:
Salvatore Mamone, Peter M. Felker, Zlatko Bačić, Minzhong Xu, Stéphane Rols, Anthony J. Horsewill, Richard J. Whitby
Publikováno v:
Journal of Physical Chemistry Letters
Journal of Physical Chemistry Letters, American Chemical Society, 2019, 10 (18), pp.5365-5371. ⟨10.1021/acs.jpclett.9b02005⟩
Journal of Physical Chemistry Letters, American Chemical Society, 2019, 10 (18), pp.5365-5371. ⟨10.1021/acs.jpclett.9b02005⟩
Accurate quantum simulations of the low-temperature inelastic neutron scattering (INS) spectra of HF@C60 are reported for two incident neutron wavelengths. They are distinguished by the rigorous inclusion of symmetry-breaking effects in the treatment
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::dcd4d787968b270f189346c7e04fa324
https://hal.archives-ouvertes.fr/hal-03245500
https://hal.archives-ouvertes.fr/hal-03245500
Publikováno v:
'Physical Chemistry Chemical Physics ', vol: 18, pages: 29369-29380 (2016)
In this paper we report a methodology for calculating the inelastic neutron scattering spectrum of homonuclear diatomic molecules confined within nano-cavities of spherical symmetry. The method is based on the expansion of the confining potential int
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::1f8bf085fe46fb9cbd5938fb4c36a746
https://doi.org/10.1039/c6cp06059e
https://doi.org/10.1039/c6cp06059e