Zobrazeno 1 - 10
of 71
pro vyhledávání: '"Eric A. Noe"'
Autor:
Qianqian Shao, Irina V. Agarkova, Eric A. Noel, David D. Dunigan, Yunshu Liu, Aohan Wang, Mingcheng Guo, Linlin Xie, Xinyue Zhao, Michael G. Rossmann, James L. Van Etten, Thomas Klose, Qianglin Fang
Publikováno v:
Nature Communications, Vol 13, Iss 1, Pp 1-11 (2022)
Giant viruses are large DNA viruses with capsid diameters up to 500 nm. Given technical challenges only few high-resolution structures of viral capsids exist. Here, Shao et al. provide a nearatomic structure of giant virus PBCV-1 capsid and resolve t
Externí odkaz:
https://doaj.org/article/9434736f81674175843d4c600bec34f3
Publikováno v:
European Journal of Organic Chemistry. 2012:5048-5053
Low-temperature carbon NMR spectra of dodecanolactone (1), the parent 13-membered lactone, showed the presence of two conformations, with populations of 55.5 and 44.5 % at –164.2 °C. Populations were estimated at the coalescence temperature of –
Autor:
Eric A. Noe, Alex D. Bain, Gurvinder Gill, Diwakar M. Pawar, Richard H. Sullivan, Dalephine Cain
Publikováno v:
The Journal of Organic Chemistry. 72:25-29
Interconversion of carbon sites in boat-chair-boat (BCB) cyclodecane occurs by way of the twist-boat-chair (TBC) conformation, which predicts that C-1 exchanges with C-4, etc. The previously obtained low-temperature 13C spectra could be matched by as
Publikováno v:
The Journal of Organic Chemistry. 71:6512-6515
Cycloundecane (1) was shown to exist at -183.1 degrees C as a mixture of the [12323] (approximately 59%) and [335] (approximately 41%) conformations. Populations were determined from the (13)C NMR spectrum, and assignments were based on the (13)C spe
Publikováno v:
The Journal of Organic Chemistry. 70:10726-10731
[reaction: see text] Low-temperature 13C NMR spectra of cis-1,4-di-tert-butylcyclohexane (1) showed signals for the twist-boat (1a) and chair (1b) conformations. 13C NMR signals were assigned to specific carbons based on the different populations, di
Publikováno v:
Journal of Molecular Structure: THEOCHEM. 732:99-111
The optimized geometries, relative free energies and related thermodynamic properties, harmonic frequencies, and dipole moments have been calculated at the HF and MP2 levels for ethynyl formate ( 1a ), ethynyl acetate ( 1b ), cyano formate, HCO 2 CN
Autor:
Charles H. Langley, Eric A. Noe
Publikováno v:
Journal of Molecular Structure: THEOCHEM. 682:215-224
The optimized geometries, relative conformational energies, frequencies and dipole moments have been calculated at the HF and MP2 levels for performic acid ( 1 ), peracetic acid ( 2 ) and methyl performate ( 3 ) with the gaussian 98 program. Dihedral
Publikováno v:
Journal of Molecular Structure: THEOCHEM. 674:251-255
The conformations of trans-cycloheptene (1), trans-cycloheptene oxide (2), and trans-bicyclo [5.1.0] octane (3), were studied by ab initio calculations. At the MP2/6-31G* level, a global minimum of C1 symmetry was found for each of the three compound
Publikováno v:
Journal of Molecular Structure: THEOCHEM. 626:159-165
Ab initio calculations for trifluoromethyl formate ( 1 ) and trichloromethyl formate ( 2 ) were performed using Hartree–Fock, DFT, and electron correlation methods. At the MP2/6-311G(df,pd) level, the E -isomer of 1 was calculated to have a free en
Publikováno v:
Journal of Molecular Structure. 525:209-214
The two fluorines of cyclopropyldifluoroborane ( 1 ) and vinyldifluoroborane ( 2 ) show two chemical shifts at low temperatures, due to hindered rotation about the boron–carbon bonds. The rates of rotation were determined at higher temperatures, an