Zobrazeno 1 - 10
of 75
pro vyhledávání: '"Lise Hedberg"'
Publikováno v:
The journal of physical chemistry. A. 121(32)
The molecule cyclobutane (CB) has a nonplanar carbon skeleton folded around a line connecting diagonally opposite atoms. The puckering angle (the change from planarity) of ∼30° is generally attributed to steric repulsion between the four sets of a
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::33d9abf72598b964589a76f3bea2dcd1
https://pubmed.ncbi.nlm.nih.gov/28737912
https://pubmed.ncbi.nlm.nih.gov/28737912
Publikováno v:
The Journal of Physical Chemistry A. 119:1563-1567
The structure and conformations of 1,2-dimethoxycyclobutene-3,4-dione in the vapor at a temperature of 185 °C have been measured by gas-phase electron diffraction. The molecule exists in two forms, one of symmetry C2v with the methyl groups trans to
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b1814d2467c7ca461ab9613fdc888399
https://doi.org/10.1021/jp507648j
https://doi.org/10.1021/jp507648j
Publikováno v:
Journal of Molecular Structure. 1071:41-44
The structure of the molecule 1,4-dioxane (DIOX) has some features in common with other ring systems previously studied in this laboratory. In contrast to 1,4-cyclohexanedione, however, which consists both of a twisted boat form of D 2 symmetry and a
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::e0619c399adf22ac1c3ae10f969dfac9
https://doi.org/10.1016/j.molstruc.2014.04.053
https://doi.org/10.1016/j.molstruc.2014.04.053
Publikováno v:
The Journal of Physical Chemistry A. 117:11101-11106
Electron diffraction experiments on the vapor of 1,4-cyclohexanedione have been carried out at a nominal temperature of 435 K. The results are consistent with the presence of a mixture of a chair form of C2h symmetry and a twisted boat form of D2 sym
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::9723321fc2390ade3573780c7b20614f
https://doi.org/10.1021/jp407423d
https://doi.org/10.1021/jp407423d
Publikováno v:
The Journal of Physical Chemistry A. 115:6702-6708
The structure and torsional properties of oxalyl chloride fluoride in the gas phase have been measured by electron diffraction at temperatures of 22, 81, 158, and 310 °C. The molecule may be regarded as a hybrid of oxalyl chloride and oxalyl fluorid
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::bbd481578be774773c9e11e8a1b25d55
https://doi.org/10.1021/jp203060d
https://doi.org/10.1021/jp203060d
Publikováno v:
Journal of Molecular Structure. 978:294-298
The structure of 1-monomethoxy-2,3,3,4,4-pentafluorocyclobut-1-ene (F5MCB) has been studied as a part of a series of investigations of the structures of substituted cyclobutenes. The experimental method was gas-phase electron diffraction (GED) augmen
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::cebb8356ac662dc7e8ff6a955fffcb92
https://doi.org/10.1016/j.molstruc.2010.03.001
https://doi.org/10.1016/j.molstruc.2010.03.001
Publikováno v:
The Journal of Physical Chemistry A. 110:12986-12991
The molecular structure and composition of gaseous oxalyl fluoride (OXF) has been investigated by electron diffraction (GED) at nozzle-tip temperatures of −10, 149, and 219 °C. The GED data were augmented by molecular orbital calculations, and the
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::7727fa8e1ac50ebca26de16bed79750e
https://doi.org/10.1021/jp062575+
https://doi.org/10.1021/jp062575+
Autor:
and Albert S. Zapolskii, V. F. Bagryantsev, Nadezda A. Galeva, Kenneth Hedberg, Lise Hedberg, Olga V. Boltalina
Publikováno v:
The Journal of Physical Chemistry A. 108:4731-4736
The structure of the fullerene C60F48 has been investigated in the gas phase by electron diffraction from a sample volatilized at 360 °C. The analysis was carried out under two assumptions: (1) the molecules have either D3 or S6 symmetry as suggeste
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::0a93a9de2499acf0b9a2b1a95e39d45e
https://doi.org/10.1021/jp049798p
https://doi.org/10.1021/jp049798p
Autor:
Mihail Bancu, Svein Samdal, Lise Hedberg, Alan D. Richardson, Lawrence T. Scott, Kenneth Hedberg
Publikováno v:
The Journal of Physical Chemistry A. 107:411-417
The molecular structure of decachlorocorannulene has been investigated by gas-phase electron diffraction with help from quantum chemical calculations at the HF and B3LYP level with several basis sets and from normal coordinate analysis. The structure
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::c29f6fa3bc71a4f728be4076ad0eb9f2
https://doi.org/10.1021/jp022266t
https://doi.org/10.1021/jp022266t
Autor:
Ian Mills, Lise Hedberg
Publikováno v:
Journal of Molecular Spectroscopy. 203:82-95
We report an extended version of our normal coordinate program ASYM40, which may be used to transform Cartesian force constants from ab initio calculations to a force field in nonredundant internal (symmetry) coordinates. When experimental data are a
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::612722ee59be479a5016707dbca5be6e
https://doi.org/10.1006/jmsp.2000.8168
https://doi.org/10.1006/jmsp.2000.8168