Zobrazeno 1 - 10
of 256
pro vyhledávání: '"Timothy W, Schmidt"'
Publikováno v:
Communications Chemistry, Vol 5, Iss 1, Pp 1-4 (2022)
It has been a great joint achievement of astronomy, laboratory spectroscopy and quantum chemistry to identify interstellar molecules in various astronomical environments and piece together their origins story from the fragmented evidence. Here the au
Externí odkaz:
https://doaj.org/article/44fcfc0cc9d0412e84ac229ef1973437
Publikováno v:
Nature Communications, Vol 11, Iss 1, Pp 1-5 (2020)
The electronic structure of benzene has been a test bed for competing theories along the years. Here the authors show via quantum chemistry calculations that the wavefunction of benzene can be partitioned into tiles which show that the two electron s
Externí odkaz:
https://doaj.org/article/f4929fbf29ee43778aee65340942a569
Autor:
Roslyn Forecast, Elham M. Gholizadeh, Shyamal K. K. Prasad, Simon Blacket, Patrick C. Tapping, Dane R. McCamey, Murad J. Y. Tayebjee, David M. Huang, Jared H. Cole, Timothy W. Schmidt
Publikováno v:
The Journal of Physical Chemistry Letters. 14:4742-4747
Publikováno v:
Annual Review of Physical Chemistry. 74:145-168
Photochemical upconversion is a process whereby two lower-energy photons are converted into a higher-energy photon by sensitized triplet–triplet annihilation. While recent interest in this process has been motivated by improving the efficiencies of
Publikováno v:
Nature Communications, Vol 9, Iss 1, Pp 1-7 (2018)
Despite being essential to organic chemistry, the curly arrow notation of reaction mechanisms has been treated with suspicion due to its unclear connection with quantum mechanics. Here, the authors show that analysis of wavefunction 'tiles' along a r
Externí odkaz:
https://doaj.org/article/49882aac2f894212b72b794e03928fe1
Autor:
Damon M. de Clercq, Jiong Yang, Muhammad Hanif, Jessica Alves, Jiale Feng, Michael P. Nielsen, Kourosh Kalantar-Zadeh, Timothy W. Schmidt
Publikováno v:
The Journal of Physical Chemistry C.
Upconversion processes effectively convert two or more low energy photons into one higher energy photon, and have diverse applications in photovoltaics and biomedicine. Upconversion is generally spin-selective, and its magnetic field response can be
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::974d8bf4d8793c43a5e6579e3aa6a199
https://doi.org/10.26434/chemrxiv-2022-qz1zl-v2
https://doi.org/10.26434/chemrxiv-2022-qz1zl-v2
Publikováno v:
The Journal of Physical Chemistry A. 126:979-991
The electronic wave function of molecules is 3
Autor:
Zachariah D. Levey, Benjamin A. Laws, Srivathsan P. Sundar, Klaas Nauta, Scott H. Kable, Gabriel da Silva, John F. Stanton, Timothy W. Schmidt
Publikováno v:
The Journal of Physical Chemistry A. 126:101-108
Polycyclic aromatic hydrocarbons (PAHs) are intermediates in the formation of soot particles and interstellar grains. However, their formation mechanisms in combustion and interstellar environments are not fully understood. The production of tricycli
Autor:
Shyamal K. K. Prasad, Martin D. Peeks, Joakim Andréasson, Timothy W. Schmidt, Jonathon E. Beves, Laura Wimberger
Publikováno v:
Journal of the American Chemical Society. 143:20758-20768
Molecular photoswitches capable of generating precise pH changes will allow pH-dependent processes to be controlled remotely and noninvasively with light. We introduce a series of new merocyanine photoswitches, which deliver reversible bulk pH change