Thandokuhle Ntombela

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Questions related from Thandokuhle Ntombela

QTAIM and NBO analysis of truncated molecular system.

Please help I am using AIM2000 software which evaluates the information about the nature of weak interactions present in molecular systems. My interest is in the topological parameters of electron...

07 June 2017 4,837 1 View

Can anyone help me out?

i am performing ONIOM calculations using two layers in Gassian 09 ,employing (B3LYP/6-31G+(d): amber=hardfirst) method. i often get an error of "Read MM parameter file: End of file in RdPar. i...

01 January 1970 2,863 3 View