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Multiwfn3.7 by sobereva |
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Software Description:
... · Showing molecular structure and previewing orbitals (MO, NBO, natural orbital, etc.). · Outputting all supported properties at ... wavefunction informations belong to which atoms and which orbitals will be used for subsequent analysis, uninteresting parts ... CHELPG and Merz-Kollmann methods are supported. · Orbital composition analysis. Multiwfn outputs composition of basis functions, shells, atoms and intra-/inter-fragments in each orbital. Partition methods defined by Mulliken, Stout & Politzer, ... bond order (can be · decomposed to orbital contributions) are supported. · Plotting Total/Partial/Overlap population ...
type: Open Source
Download Multiwfncategories: wavefunction analysis, topology analysis, molecular structure, analysis, analize, wavefunction Add to Download Basket Report virus or spyware |
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| Software Info | |
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Best Vista Download periodically updates pricing and software information of Multiwfn full version from the publisher,
but some information may be out-of-date. You should confirm all information. Software piracy is theft, using crack, warez passwords, patches, serial numbers, registration codes, key generator, keymaker or keygen for Multiwfn license key is illegal and prevent future development of Multiwfn. Download links are directly from our mirrors or publisher's website, Multiwfn torrent files or shared files from rapidshare, yousendit or megaupload are not allowed! |
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| Released: | August 14, 2020 |
| Filesize: | 15.90 MB |
| Platform: | Windows Vista, Windows Vista x64, Windows 7, Windows 7 x64, Windows 8, Windows 8 x64, Windows 10, Windows 10 x64, Windows 11 |
| Install | Instal And Uninstall |
| Add Your Review or Windows Vista Compatibility Report |
Multiwfn- Releases History |
| Software: | Multiwfn 3.7 |
| Date Released: | Aug 14, 2020 |
| Status: | New Release |
| Software: | Multiwfn 3.6 |
| Date Released: | May 21, 2019 |
| Status: | New Release |
| Release Notes: | 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. |
| Software: | Multiwfn 2.4 |
| Date Released: | May 23, 2012 |
| Status: | New Release |
| Release Notes: | · 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 |
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Multiwfn 3.7 download by sobereva
... low. · Showing molecular structure and previewing orbitals (MO, NBO, natural orbital, etc.). · Outputting all supported properties at a ... wavefunction informations belong to which atoms and which orbitals will be used for subsequent analysis, uninteresting parts ...
type: Open Source
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categories: wavefunction analysis, topology analysis, molecular structure, analysis, analize, wavefunction |
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