Navigation: 

Multiwfn 3.7 freeware

Multiwfn freeware screenshot
View Image

Multiwfn is a user-friendly, powerful and flexible program that aims for general wavefunction analysis. Multiwfn accepts several kinds of files as wavefunction input: .wfn/.wfx (Conventional / Extended PROAIM wavefunction file), .31~.40
(NBO plot file), .fch (Gaussian formatted check file). ...

Author sobereva
Released 2020-08-14
Filesize 15.90 MB
Downloads 541
OS Windows Vista, Windows Vista x64, Windows 7, Windows 7 x64, Windows 8, Windows 8 x64, Windows 10, Windows 10 x64, Windows 11
Installation Instal And Uninstall
Keywords wavefunction analysis, topology analysis, molecular structure, analysis, analize, wavefunction
Users' rating
(18 rating)
MultiwfnCADWindows Vista, Windows Vista x64, Windows 7, Windows 7 x64, Windows 8, Windows 8 x64, Windows 10, Windows 10 x64, Windows 11
Add to saved freeware Report spyware
Multiwfn - utility methods Freeware Download Notice

Multiwfn Free Download - we do not host any Multiwfn torrent files or links of Multiwfn on rapidshare.com, depositfiles.com, megaupload.com etc. All Multiwfn download links are direct Multiwfn download from publisher site or their selected mirrors.

Multiwfn freeware - The Latest User Reviews
Multiwfn freeware - The Latest Versions History
3.7 Aug 14, 2020 New Release
3.6 May 21, 2019 New Release A very powerful and easy-to-use RESP module is added into main function 7 (Population analysis). It can calculate the well-known ElectroStatic Potential (RESP) charge proposed in J. Phys. Chem., 97, 10269 (1993), and can also calculate ESP fitting charges under various customized conditions such as atomic equivalence constraint and fragment charge constraint. Multiple conformation is fully supported. See Section 3.9.16 for detailed introduction and Section 4.7.7 for examples. This module should be able to bring a revolution in the field of RESP charge derivation.
Energy decomposition analysis based on UFF/AMBER/GAFF molecular forcefield is supported as subfunction 1 of main function 21. See corresponding introduction in Section 3.24.1 and examples in Section 4.21.1 of the manual.
2.4 May 23, 2012 New Release · Fixed a bug introduced by Version 2.2.1 (that is Multiwfn crashes during reading the .fch files produced by unrestricted calculation with cartesian basis functions)
· Fixed a bug in the interface for selecting the interbasin surfaces to be generated
· A serious bug in reading the .fch files produced by unrestricted calculation with spherical basis functions is solved
· Merz-Kollmann charge is supported in population module
· Option 10 is added to topology analysis module, this is a small tool used to calculate Shannon aromaticity index

Most popular CAD freeware downloads

DWSIM

6.6.2 freeware download

... for two compounds using various thermodynamics models and methods, generating conclusive graphs that can be exported to ... Component Creator Process Analysis and Optimization: Sensitivity Analysis Utility, Multivariate Optimizer with bound constraints. ...

YAFU

1.34 freeware download

YAFU or Yet Another Factoring Utility is an interactive Command Line instrument for integer ... using a combination of all of the implemented methods. This method measures the elapsed time of several ...

Multiwfn

3.7 freeware download

... (Atomic dipole moment corrected Hirshfeld), CHELPG and Merz-Kollmann methods are supported. · Orbital composition analysis. Multiwfn outputs ... shells, atoms and intra-/inter-fragments in each orbital. Partition methods defined by Mulliken, Stout & Politzer, Ros & ...

PyCogent

1.5.3 freeware download

... with biological sequences. Furthermore, PyCogent is an utility that allows you to perform codon alignments. New methods of analyzing genomic data are frequently added. ...