A Frisch - Wallingford, USA, 25p, 2009 - chemistry4.me
… (The Gaussian09 program is divided into a series of modules known as links. Different links perform different parts of the calculation, and the various links execute sequentially, making …
W LI, H Xie, Y Huang, L Song… - Journal of Kunming …, 2016 - pesquisa.bvsalud.org
… Objective To investigate the application of of Gaussian09/… with a method with the help of Gaussian09/GuassView 5.0 soft.… Conclusion Gaussian09/GuassView 5.0 can visualize the …
… offered to generate electronic spectra inside GAUSSIAN. … After a brief introduction of the basic theory used in GAUSSIAN … errors reported by GAUSSIAN and possible workarounds. This …
L Ahmed, R Omer - Journal of Physical Chemistry and Functional …, 2020 - dergipark.org.tr
… We used Gaussian09 software program with the B3LYP method at a 6-31G* basis set to optimize the geometrical structure of the dopamine molecule. Population analysis and UV-Vis …
K Remya, CH Suresh - Journal of computational chemistry, 2013 - Wiley Online Library
… (DFT) methods in Gaussian09 is done to locate functionals … trustworthy DFT method in Gaussian09 to study small non-… is the best DFT method in Gaussian09 for the study of small non-…
JS Singh - Research on Chemical Intermediates, 2020 - Springer
Recorded IR and Raman spectra of 5-fluoro-uracil have been analyzed with the carried out theoretical computation by Gaussian-09 [DFT/B3LYP/6-311 ++G**] and GAR2PED software. …
… ) by the Gaussian09 … Gaussian09 program which approximately with experimental results. Keywords: Structural properties, electronic properties, (IR and NMR) spectral, Gaussian09 …
DK Taha, IH Hilal, RH Jabbar - Journal of Physics: Conference …, 2021 - iopscience.iop.org
The results obtained from theoretical calculations using the Gaussian09 program using density functional (DFT) theory through calculated each of structural, electronic, thermal, and …