[图书][B] Gaussian 09: IOps Reference

M Caricato, MJ Frisch, J Hiscocks, MJ Frisch - 2009 - researchgate.net
Gaussian® 09 software described in this work is based on the Gaussian® 03 system (Copyright
© 2003, Gaussian… manual correspond to normal Gaussian 09 keywords and their options…

[PDF][PDF] gaussian 09W Reference

A Frisch - Wallingford, USA, 25p, 2009 - chemistry4.me
… (The Gaussian 09 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 …

[TXT][TXT] Gaussian 09

G Zheng, L Sonnenberg, M Hada… - Gaussian Inc …, 2009 - researchgate.net
For IOP= 5 NDIM= 36 IND= 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24

Application of Gaussian 09/GaussView 5.0 in analytical chemistry teaching

W LI, H Xie, Y Huang, L Song… - Journal of Kunming …, 2016 - pesquisa.bvsalud.org
… Objective To investigate the application of of Gaussian 09/… with a method with the help of
Gaussian 09/GuassView 5.0 soft.… Conclusion Gaussian 09/GuassView 5.0 can visualize the …

[PDF][PDF] Vibrationally-resolved electronic spectra in GAUSSIAN 09

V Barone, J Bloino, M Biczysko - Revision a, 2009 - fc.up.pt
… 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 …

Population Analysis and UV-Vis spectra of Dopamine Molecule Using Gaussian 09.

L Ahmed, R Omer - Journal of Physical Chemistry and Functional …, 2020 - dergipark.org.tr
… We used Gaussian 09 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 …

Which density functional is close to CCSD accuracy to describe geometry and interaction energy of small noncovalent dimers? A benchmark study using Gaussian09

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-…

IR and Raman spectra with Gaussian-09 molecular analysis of some other parameters and vibrational spectra of 5-fluoro-uracil

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. …

Structural properties of aluminum doped with zinc oxide (ZnO) nanoparticle theoretical study by Gaussian 09 program

IH Hilal, RH Jabbar, SJ Jabbar - IOP Conference Series: Earth …, 2021 - iopscience.iop.org
… ) by the Gaussian 09Gaussian 09 program which approximately with experimental results.
Keywords: Structural properties, electronic properties, (IR and NMR) spectral, Gaussian 09

Theoretical properties of Ni2Ti alloys studied: By Gaussian 09 program

DK Taha, IH Hilal, RH Jabbar - Journal of Physics: Conference …, 2021 - iopscience.iop.org
The results obtained from theoretical calculations using the Gaussian 09 program using
density functional (DFT) theory through calculated each of structural, electronic, thermal, and …