Zobrazeno 1 - 10
of 11
pro vyhledávání: '"Ditte L. Thomsen"'
Publikováno v:
The Journal of Physical Chemistry Letters. 12:7134-7139
Direct dynamics simulation of singly hydrated peroxide ion reacting with CH3Cl reveals a new product channel that forms CH3OH + Cl- + HOOH, besides the traditional channel that forms CH3OOH + Cl- + H2O. This finding shows that singly hydrated peroxid
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::2cc3cd649d5776b40bd9c79235de0dec
https://doi.org/10.1021/acs.jpclett.1c01665
https://doi.org/10.1021/acs.jpclett.1c01665
Autor:
Marin S. Robinson, Ditte L. Thomsen, Edwin L. Motell, Rustam Garrey, Zhe Chen Wang, Charles H. DePuy, Veronica M. Bierbaum
Publikováno v:
International Journal of Mass Spectrometry. 429:6-13
The reactions of the methyl cation with benzene and toluene in the gas phase have been examined using the flowing afterglow-selected ion flow-drift tube technique. With benzene four product ions are formed, C 6 H 6 + by electron transfer, C 6 H 5 + b
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::fcba0bb9daac427f028a454a712f8a7a
https://doi.org/10.1016/j.ijms.2017.03.009
https://doi.org/10.1016/j.ijms.2017.03.009
Autor:
Veronica M. Bierbaum, Steen Hammerum, Ditte L. Thomsen, Jennifer N. Reece, Charles M. Nichols
Publikováno v:
The Journal of Physical Chemistry A. 118:8060-8066
The α-effect, an enhanced reactivity of nucleophiles with a lone-pair adjacent to the reaction center, has been studied in solution for several decades. The gas-phase α-effect has recently been documented in studies of SN2 reactions as well as in c
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::172790452dda8d0ab6ff97da037b9377
https://doi.org/10.1021/jp407698a
https://doi.org/10.1021/jp407698a
Autor:
Steen Hammerum, Jennifer N. Reece, Veronica M. Bierbaum, Charles M. Nichols, Ditte L. Thomsen
Publikováno v:
Journal of the American Chemical Society. 135:15508-15514
The α-effect-enhanced reactivity of nucleophiles with a lone-pair adjacent to the attacking center-was recently demonstrated for gas-phase S(N)2 reactions of HOO(-), supporting an intrinsic component of the α-effect. In the present work we explore
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::f47e685aec4ac93fb3848800897f541e
https://doi.org/10.1021/ja4066943
https://doi.org/10.1021/ja4066943
Autor:
Veronica Vaida, Ditte L. Thomsen, Henrik G. Kjaergaard, Sidsel D. Schrøder, Joseph R. Lane, Jessica L. Axson
Publikováno v:
The Journal of Physical Chemistry A. 117:10260-10273
Gas-phase vibrational spectra of 2-aminoethanol and 3-aminopropanol were recorded up to the third OH-stretching overtone using Fourier transform infrared spectroscopy, cavity ringdown spectroscopy, and intracavity laser photoacoustic spectroscopy. Th
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e15743b2863cb427b769db7e546937e5
https://doi.org/10.1021/jp405512y
https://doi.org/10.1021/jp405512y
Publikováno v:
Phys. Chem. Chem. Phys.. 13:2758-2764
FTIR smog chamber techniques were used to measure k(Cl + C(2)F(5)CH(2)OCH(3)) = (2.52 ± 0.37) × 10(-11) and k(OH + C(2)F(5)CH(2)OCH(3)) = (5.78 ± 1.02) × 10(-13) cm(3) molecule(-1) s(-1) in 700 Torr of air diluent at 296 ± 1 K. The atmospheric l
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::47a01d5d052b0e03e86ee27c6bce6b28
https://doi.org/10.1039/c0cp01609h
https://doi.org/10.1039/c0cp01609h
Autor:
Ditte L. Thomsen, Solvejg Jørgensen
Publikováno v:
Chemical Physics Letters. 481:29-33
The kinetics of the addition of OH radical to propene and a series of halogen substituted propenes have been investigated using DFT, MP2 and CCSD(T) methods. Activation energies based on MP2/cc-pVTZ single point energy calculations on BH&HLYP/cc-pVTZ
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::372610482f69aba81c678bfa9bc205d5
https://doi.org/10.1016/j.cplett.2009.09.026
https://doi.org/10.1016/j.cplett.2009.09.026
Autor:
Steen Hammerum, Ditte L. Thomsen, Veronica M. Bierbaum, Jennifer N. Reece, Charles M. Nichols
Publikováno v:
Journal of the American Society for Mass Spectrometry. 25(2)
The enhanced reactivity of α-nucleophiles, which contain an electron lone pair adjacent to the reactive site, has been demonstrated in solution and in the gas phase and, recently, for the gas-phase S(N)2 reactions of the microsolvated HOO(-)(H2O) io
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::6dff2e392c41ba711c2af2c5bc9dc65e
https://pubmed.ncbi.nlm.nih.gov/24346962
https://pubmed.ncbi.nlm.nih.gov/24346962
Autor:
Vitaly Raev, Albert Stolow, Gary D. Enright, Andrey E. Boguslavskiy, Henning Hopf, Theis I. Sølling, Ditte L. Thomsen, Oliver Schalk, Peter G. Jones, Rasmus Y. Brogaard
The first study of pseudo-bi- molecular cycloaddition reaction dy- namics in the gas phase is presented. We used femtosecond time-resolved photoelectron spectroscopy (TRPES) to study the (2+2) photocycloaddition in the model system pseudo-gem- diviny
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::53d9a8b6c07e58810c222cba37772dee
https://nrc-publications.canada.ca/eng/view/object/?id=3c7d1236-3de3-4969-b8c8-379ce9ac221e
https://nrc-publications.canada.ca/eng/view/object/?id=3c7d1236-3de3-4969-b8c8-379ce9ac221e
Autor:
Theodore P. Snow, Ditte L. Thomsen, Veronica M. Bierbaum, Nadine Wehres, Zhibo Yang, Callie A. Cole
Publikováno v:
The Astrophysical Journal. 754:L5
The abundance of methyl formate in the interstellar medium has previously been underpredicted by chemical models. Additionally, grain surface chemistry cannot account for the relative abundance of the cis- and trans-conformers of methyl formate, and
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::0c7ac3db7f4c9fe323d7a74e7d53e555
https://doi.org/10.1088/2041-8205/754/1/l5
https://doi.org/10.1088/2041-8205/754/1/l5