12 Questions 59 Answers 0 Followers
Questions related from Julián E. Sánchez-Velandia
Dear Scientists, Hoping all you are fine. I need to know if someone can recommend me how to know if Al extracted from a zeolite is extraframework or of the framework? (Other technique than NMR...
31 July 2020 9,047 2 View
Hi all, I just try to perform a calculation for a cluster of TinOxide for determining a reaction mechanism in an organic reaction. I tried to run this calculation using a mixing basis set...
14 May 2020 8,856 4 View
Hi dear all, I just carrying out a computational run of a single point energy at MP2/6-31g++(2p,2d)//B3LYP/6-31g++(d,p), but when I tried to do the refinement at MP2/6-31g++(2p,2d) the next error...
28 March 2020 5,954 3 View
Hello dear scientists, I carried out an adsorption-desorption isotherm of a catalyst as show in the attached file. Nevertheless, when I was analyzing the desorption I observed that this way is so...
06 December 2019 6,728 6 View
Hello, dear Scientists I would like to know why in some cases, if you impregnate metal in a support (in different percentages, e.g.: 1%, 2%, 4%) the surface area of the final material do not...
23 October 2019 9,409 4 View
Hello dear Scientists, I would like to ask to everyone about a technical aspect in the preparation of catalysts using incipient wetness impregnation. ¿Can change drastically the properties of...
01 October 2019 9,935 3 View
Hello everyone, I would like to know if someone have a reference or a possible explanation about if ketones (2-propanone or ethyl acetate) could coordinate to iron (metal or cation)? Since...
01 September 2019 4,522 3 View
Hi dear scientists! I am trying to find a transition state using QST2 and rob3ylp 6-31g(d,p)... Nevertheless, in all cases my run fails.. The next paragraph appear in my file.log: "Old...
08 February 2019 5,888 6 View
Hi Scientists!! I am trying to choose the best model in a experimental arrangement of four factors and three levels. I don't know what model is more correct? I chose Box-Behken but I am thinking...
03 October 2017 5,024 10 View
I was reading about this interesting topic and I don't understand what could be the more stable kind of hydrogen. This could influence the storage of hydrogen? Thanks a lot, Julián S.
29 September 2017 2,188 2 View
What is the explanation that in the amorphous silica appears a peak. If you have an amorphous material won't should appear any peak in the XRD pattern.?????
05 July 2017 7,052 5 View
Hi everybody, Actually, I am simulating some process using Gaussian G09, specifically some molecules adsorbed over silica. But, I don't know how to explain if Gaussian works in gas-phase, what...
28 March 2017 6,136 3 View
