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List of Gaussian Keywords. # · ADMP · BD · BOMD · CacheSize · CASSCF · CBS Methods · CBSExtrapolate · CCD and CCSD · Charge · ChkBasis · CID and CISD · CIS · CNDO · Complex · Constants · Counterpoise · CPHF · Density · DensityFit and NoDensityFit · DFT Methods · DFTB and DFTBA · EET · EOMCCSD · EPT
Automatic scoring and quality assessment using accuracy bounds for FP-TDI SNP genotyping data. Kschischo M(1), Kern R, Gieger C, METHODS: We derived several quantities in the framework of Gaussian mixture models that provide figures of merit to objectively measure the data quality. The accuracy of individual
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In many cases, it also gives much more detailed reports with many important details omitted in the GAMESS and Gaussian outputs. The TD calculations can be .. and will not be taken into account. However, user can override this decision using the .tdi-file with additional options for TD calculations described in the Manual.
This is a quick tutorial that will help you to make your way through the first steps of computational chemistry using Gaussian 09W software (G09). The tutorial is oriented to beginners and describes in detail the most used calculations done using G09. However, the theoretical basis of these cal- culations will not be covered
Gaussian 16 Users Reference. Gaussian16 and GaussView6 Citations; Gaussian 16 Capabilities. Model Chemistries · Basis Sets · Job Types · Program Limits · Links. About Gaussian 16 Input. Input Files · Syntax · Section Ordering. Running Gaussian16. Preliminaries · Running under UNIX · Scratch Files · Memory Use
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