8 Questions 17 Answers 0 Followers
Questions related from Nathanael Damilare Ojo
Is there any free software that can simulate pH dependence of adsorption of anions by carbonaceous materials?
26 October 2022 2,731 2 View
We calculated Hirshfeld charges at DFT/B3LYP level using Gaussian 09 software but will like to know if the program can generate Hirshfeld surface. Thanks.
09 September 2021 8,704 4 View
"We were trying to calculate excited state properties in solvent environment (e.g. ethanol) using CAM-B3LYP/6-311++G(d,p) and state specific PCM method in GAUSSIAN 09. There's however a challenge...
31 August 2020 333 2 View
Please we need information on how to specify 6-31G basis set for organic system with C, H, N, O and LANL2DZ for Copper(ii) complex in the input file in order to compute molecular properties of the...
14 December 2018 1,700 13 View
UBE has been on ground for more than a decade now in Nigeria. Are there unreported factors militating against the success of UBE?
26 June 2017 2,386 2 View
On what basis are Q band, B band, L band etc assigned to a UV-Vis absorption spectra taking phthalocyanine and Schiff base as examples?
13 June 2017 3,259 1 View
I excited a fused aromatic conjugated naphthalene-based system from 240-360 nm and the emission bank was continuously red shifted from 500-800 nm. The absorption maximum is around 360 nm.
10 May 2017 6,542 4 View
How can prepare a condensation product of a primary diamine and two different aldehydes without have too many side product?
30 March 2015 4,716 5 View
