by running gaussian 9w version i cant open the chemcrat so, i need solution for the above
how the difference between those will study
31 December 2018 9,930 6 View
need details of changes happen in nano material due to confinement
11 December 2018 4,308 0 View
i need to know size, properties applications of nano materials
11 December 2017 312 0 View
I need the reference of the shelf life about crystals
31 December 2016 5,176 0 View
space group Pnma crystals are noncentro symmetric or not
04 May 2016 3,961 5 View
i want to know the details of tha above from jcpds
03 April 2016 3,857 1 View
I would like to know the assignment of inorganic compound for doping material.
31 December 2014 460 1 View
ftir is useful tool to know about nlo?
11 December 2014 7,932 3 View
i want to calculate bond length and bond angle
08 September 2014 665 0 View
what changes are possible in crystal
08 September 2014 3,429 1 View
I'm trying to perform a frequency calculation using Gaussian via MOBAXterm. The output shows no errors, however, there's no frequency as a result on gausview. The option "vibrations" is not...
31 July 2024 631 4 View
How can we calculate the percentage of configuration interaction (CI) in the UV output data of the Gaussian program? for example: Excited State 17: Singlet-A 5.1359 eV 241.41 nm...
28 July 2024 9,165 2 View
Hi everyone, I'm working on calculating the activation energies for some redox reactions using Gaussian, Here are the reactions I'm interesting: Py•−+ 3O2 → Py + 3O2•− Py•− + 1O2 → Py + 1O2•− Is...
18 July 2024 4,418 3 View
Using DFT/B3LYP/6-311++G
17 July 2024 7,720 1 View
im studing gaussian 16 with reading paper about I-131 Metaiodobenzylguanidine in the paper "In a similar vein, nuclear magnetic resonance shielding values were investigated using the widely...
16 July 2024 6,040 4 View
I have ftir from gaussian output file.where ir aand raman are given. However in many research articles value of ir and raman are classified into two portion. Please anyone knows suggest me to how...
11 July 2024 2,498 1 View
I am new to gaussian 16 software and while doing non linear optical properties calculation hyperpolarizabiltiy polarizability dipole moment calculation I found different gaussian input keywords...
08 July 2024 7,551 1 View
I need to apply an external electric field to 4-hydroxybenzoic acid to compare the molecule's reactivity descriptors. Could you guide me on how to apply the electric field using Gaussian and...
01 July 2024 4,192 3 View
how to rectify that error and also I need some clarification regarding how to put scan in gaussian software
26 June 2024 735 2 View
what is the keyword to add omegaB97X functional in gaussian input file?
20 June 2024 7,158 3 View