Zobrazeno 1 - 8
of 8
pro vyhledávání: '"Marcus A. Bartlett"'
Autor:
Wesley D. Allen, Peter R. Schreiner, Marcus A. Bartlett, Frederik R. Erb, Bastian Bernhardt, Henrik Quanz
Publikováno v:
Journal of the American Chemical Society. 142:19457-19461
We report the first preparation of the s-cis,s-cis conformer of dihydroxycarbene (1cc) by means of pyrolysis of oxalic acid, isolation of the lower-energy s-trans,s-trans (1tt) and s-cis,s-trans (1ct) product conformers at cryogenic temperatures in a
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::32c36f5340ec31b1dd469bc78fcf1a99
https://doi.org/10.1021/jacs.0c09317
https://doi.org/10.1021/jacs.0c09317
Autor:
Henrik, Quanz, Bastian, Bernhardt, Frederik R, Erb, Marcus A, Bartlett, Wesley D, Allen, Peter R, Schreiner
Publikováno v:
Journal of the American Chemical Society. 142(46)
We report the first preparation of the
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::f4ec96c8adffba0ba32e5c6d112e5ab2
https://pubmed.ncbi.nlm.nih.gov/33166464
https://pubmed.ncbi.nlm.nih.gov/33166464
Publikováno v:
ACS Earth and Space Chemistry. 1:361-367
Formaldehyde (H2CO+) and methanol (H3COH+) radical cations, well-known in mass spectrometry, potentially form from radiative ionization or ion–molecule reactions in the interstellar medium. For both ions, other tautomeric forms exist that are acces
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::e24c7b6babbc55a842b17a91e791a4fb
https://doi.org/10.1021/acsearthspacechem.7b00068
https://doi.org/10.1021/acsearthspacechem.7b00068
Autor:
Marcus A. Bartlett, Andrea N. Bootsma, Jenna A. Bilbrey, Wesley D. Allen, Jason Locklin, Steven E. Wheeler
Publikováno v:
Journal of Chemical Theory and Computation. 13:1706-1711
While ring-walking is a critical step in transition metal catalyzed cross-coupling reactions, the associated metastable intermediates are often difficult to isolate and characterize. In this work, theoretical structures and energetics for ring-walkin
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::2ae9862444fe51245c7ddeb8d0579c87
https://doi.org/10.1021/acs.jctc.6b01143
https://doi.org/10.1021/acs.jctc.6b01143
Publikováno v:
The Journal of chemical physics. 151(9)
The hydridotrioxygen (HO
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::10939c865adcf880beed4a41a7225e48
https://pubmed.ncbi.nlm.nih.gov/31492062
https://pubmed.ncbi.nlm.nih.gov/31492062
Autor:
Michael M. Linden, Wesley D. Allen, J. Philipp Wagner, Marcus A. Bartlett, Peter R. Schreiner, Bastian Bernhardt
Publikováno v:
The journal of physical chemistry letters. 9(7)
Disentangling internal and external effects is a key requirement for understanding conformational tunneling processes. Here we report the s-trans/s-cis tunneling rotamerization of carbonic acid monomethyl ester (1) under matrix isolation conditions a
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::f72dde8610932076358d848a5ab53f03
https://pubmed.ncbi.nlm.nih.gov/29544243
https://pubmed.ncbi.nlm.nih.gov/29544243
Publikováno v:
The Journal of Chemical Physics. 151:094304
The hydridotrioxygen (HO3) radical has been investigated in many previous theoretical and experimental studies over several decades, originally because of its possible relevance to the tropospheric HOx cycle but more recently because of its fascinati
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::e95fe6ac6a2fb52b1c9ab86769c38813
https://doi.org/10.1063/1.5110291
https://doi.org/10.1063/1.5110291
Publikováno v:
The Journal of Chemical Physics. 148:094303
The n-propyl + O2 reaction is an important model of chain branching reactions in larger combustion systems. In this work, focal point analyses (FPAs) extrapolating to the ab initio limit were performed on the n-propyl + O2 system based on explicit qu
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::da45166ee99065325ab371674ac7d04a
https://doi.org/10.1063/1.5017305
https://doi.org/10.1063/1.5017305