Installieren des Konverters für abgeleitete Formate: Melden Sie sich bei der 3DEXPERIENCE Platform an. Wenn Ihr Unternehmen über eine Installation vor Ort verfügt, wenden Sie sich für den Link zur Anmeldung an Ihren Administrator.Klicken Sie in der oberen Leiste des 3DDashboard auf den Compas...
lithium-formatecation-cation interactionsThe potential energy surfaces for the interatomic interaction in the Li + HCOO system have been investigated by ab initio methods within the rigid-molecule approximation. Analytical potential expressions were fitted to 133 calculated SCF energies for the Li + -H...
dh-trier/textformategh-pages Branches 1 Tags Code Folders and files Latest commit christofs +bewertung c426be4· Jul 8, 2022 History22 Commits audio initial commit Jun 21, 2020 css initial commit Jun 21, 2020 dist updates Jul 7, 2022 examples initial commit Jun 21, 2020 img ready Jun ...
Influence of fumaric-acid, hydrochloric-acid, sodium formate, tylosin and toyocerin on daily weight-gain, feed-intake, feed conversion rate and digestibility. 11. Investigations about the nutritive efficacy of organic-acids in the rearing of piglets. Journal of Animal Physiology and Animal Nutrition...
Ab initio LCAO-MO-SCF calculations have been performed on the model biformate anion, [HCO2⋯H⋯O2CH]-, and its equilibrium structure and the strength of the H bond has been determined. The resulting H-bond energy of 135 kJ mol-1 is found not to be significantly decreased by the ...
We employed ab initio quantum mechanical techniques, such as HF, MP2, and QCISD methods, to explore the conformational spaces of fluoromethyl formate and difluoromethyl formate, HC(O)OCH 3 nF n ( n=1,2). Three potential energy minima, two with the syn and one with the anti ...
Ab initio calculations are reported for the conformational potential energy surfaces of chloromethyl formate and fluoromethyl formate at minimal basis set level. The halomethyl group is shown to lie Z to the carbonyl group. A plateau on the potential energy surface demonstrates that the halomethyl ...
Ab initio reaction kinetics of methyl formate hydrogen abstraction and subsequent beta-scissionTan, TingKeith, John ACarter, Emily A
Ab initio molecular dynamicsfree energyformic acidsolvation.Formate ion and formic acid are linked in water by the equilibrium for the acidic dissociation of formic acid, which as the simplest carboxylic acid is an important model system. In this study, the microscopic details of the solvation ...
Raman and infrared spectra, conformational stability, vibrational assignment and ab initio calculations of methyl cyanoformateIsopteraworkforceGene ExpressionJuvenile Hormones等翅目基因表达保幼激素类The Raman (3500-10 cm ) and infrared (3200-50 cm spectra have been recorded of the fluid and solid ...