guassian计算过程中，no 0 atoms found in this molecule是什么意思？哪里出错了呢？
已经解决
There are no atoms in this input structure ! Please fix the molecule specification section of your input and try again. Input Error Input Error Input Error Input Error Input Error Input Error Error termination via Lnk1e in C:\G09W\l101.exe at Wed Jan 16 20:26:00 2019. Job cpu time:...
the EPR signal intensity of TiN-600 decreases over time after NO2adsorption. This decay is due to the formation of a gas layer on the material surface caused by gas molecule adsorption40,41,42. This process enhances spin-lattice interactions, resulting...
40,41). This suggests the presence of an energetically demanding enzymatic reaction that reduces Pi to 24.39,41 However, 24 can also be formed by through the spontaneous hydrolysis of the mineral Schreibersite [(Fe,Ni)3P], which is found in meteorites and the Dead Sea Hatutruim Formation....
Immobilized ruthenium clusters (50 Ru atoms) in nanosized mesoporous zirconium silica were synthesized by using an impregnation method starting from an aqueous solution of RuCl3. The Ru cluster catalysts were thermally stable at 500 °C and showed remarkable activity for the hydrogenation of fura...
This randomly affects distances between non-magnetic atoms in polymer chain, although they vary much less; accordingly Y−H distances randomly become a bit longer or shorter. Then, H≡Z part of H bond becomes respectively shorter or longer, its change is an order of magnitude greater than ...
Hepatic encephalopathy is a neuropsychiatric complication of liver disease which is partly associated with elevated ammonemia. Urea hydrolysis by urease-producing bacteria in the colon is often mentioned as one of the main routes of ammonia production in
We cannot directly measure the short-lived RO radicals, so we use distinct HOM products as markers to examine the importance of this channel. In the ozonolysis of monoterpenes, HOM-RO2produced via direct autoxidation contain an odd number of hydrogen atoms (nH) and an even number of oxygen at...
This document is part of Subvolume B 'Molecules containing One or Two Carbon Atoms' of Volume 28 'Structure Data of Free Polyatomic Molecules' of Landolt-Brnstein - Group II 'Molecules and Radicals'. It contains the data set of geometric parameters of (E)-Chloroacetaldehyde oxime. Hill form...