Zobrazeno 1 - 10
of 17
pro vyhledávání: '"Bayaer Buren"'
Publikováno v:
Molecules, Vol 28, Iss 7, p 2938 (2023)
The LiNa2 reactive system has recently received great attention in the experimental study of ultracold chemical reactions, but the corresponding theoretical calculations have not been carried out. Here, we report the first globally accurate ground-st
Externí odkaz:
https://doaj.org/article/b15dc47360e042d2bcbbcfe18b5cbd63
Autor:
Bayaer Buren, Maodu Chen
Publikováno v:
Molecules, Vol 27, Iss 9, p 2912 (2022)
Due to the extremely large de Broglie wavelength of cold molecules, cold inelastic scattering is always characterized by the time-independent close-coupling (TICC) method. However, the TICC method is difficult to apply to collisions of large molecula
Externí odkaz:
https://doaj.org/article/aa84f05af2d74de7aec3839ee404adf4
Publikováno v:
The Journal of Physical Chemistry A. 126:5574-5581
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::57b32e9df97a936e76ac5a809a7c520e
https://doi.org/10.1021/acs.jpca.2c04319
https://doi.org/10.1021/acs.jpca.2c04319
Autor:
Bayaer Buren, Maodu Chen
Publikováno v:
The Journal of Physical Chemistry A. 126:2453-2462
Nonadiabatic processes play an important role at energies near or higher than conical intersection of adiabatic potential energy surfaces in chemical reactions. In this work, dynamics of the nonadiabatic H + NaD reaction at low temperatures are studi
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d1212fceff4371a62244ea9a484de9b4
https://doi.org/10.1021/acs.jpca.2c00114
https://doi.org/10.1021/acs.jpca.2c00114
Publikováno v:
Physical Chemistry Chemical Physics. 24:15532-15539
The first report of two dynamical resonances in the H + LiH+ reaction at collision energies below 10 meV is presented.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::76fa5070e55cfb6aaff84ebae0b8bf9b
https://doi.org/10.1039/d1cp05601h
https://doi.org/10.1039/d1cp05601h
Publikováno v:
Frontiers of Physics. 18
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::e2306c4baaab39b1946181752a5f273a
https://doi.org/10.1007/s11467-022-1239-1
https://doi.org/10.1007/s11467-022-1239-1
Publikováno v:
The Journal of Physical Chemistry A. 125:10111-10120
Cold and ultracold collisions are dominated by quantum effects, such as resonances, tunneling, and nonadiabatic transitions between different electronic states. Due to the extremely long de Broglie wavelength in such processes, quantum reactive scatt
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::f83a4d66208a779fa3306a9524367963
https://doi.org/10.1021/acs.jpca.1c08105
https://doi.org/10.1021/acs.jpca.1c08105
Publikováno v:
Journal of Computational Chemistry. 42:2334-2340
Feshbach resonances in D + HD(v = 1, j = 0) reaction are studied by using the time-independent quantum method. The integral cross section (ICS) results present three Feshbach resonance peaks, which are different from H + HD(v = 1, j = 0) reaction dom
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::90906bed0bce26717af8e3662d2948ca
https://doi.org/10.1002/jcc.26763
https://doi.org/10.1002/jcc.26763
Publikováno v:
Physical chemistry chemical physics : PCCP. 22(6)
Time-dependent wave packet calculations are carried out for two reaction channels of the non-adiabatic Na(3p) + HD → NaH/NaD + D/H reaction. The potential well on the excited state potential energy surface makes the reaction preferable to proceed t
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::50f1da86fafc51b15dc71d616f536ebe
https://pubmed.ncbi.nlm.nih.gov/31998904
https://pubmed.ncbi.nlm.nih.gov/31998904
Publikováno v:
Chemical Physics. 550:111311
Non-adiabatic quantum dynamics study of the Mg+(3p) + D2 reaction was carried out by using the time-dependent wave packet method. The results show that there is the triatomic complex supported by the well along the reaction path, which is manifested
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::42caf487172b0f97c9ebcc1a4777d699
https://doi.org/10.1016/j.chemphys.2021.111311
https://doi.org/10.1016/j.chemphys.2021.111311