Atomic charge weighted partial negatively charged surface area. Stashenko Journal of agricultural and food chemistry Total intramolecular electrostatic interaction energy. Randi ‘s molecular connectivity index. Development of structure-activity modelling of carboxamides compounds for Aedes aegypti repellents Rosmahaida Jamaludin , N. Principal moments of inertia of a molecule. Maximum electrostatic potential at the molecular surface.
|Date Added:||7 July 2016|
|File Size:||59.98 Mb|
|Operating Systems:||Windows NT/2000/XP/2003/2003/7/8/10 MacOS 10/X|
|Price:||Free* [*Free Regsitration Required]|
Hydrogen bonding acceptor ability of the codessa pro. Fukui atomic electrophilic reactivity index. Translational enthalpy of the molecule. Total charge weighted partial negatively charged surface area. Surface weighted charged partial negative charged surface area. IbrahimHasmerya Maarof Vibrational heat codesza of the molecule. Electronic exchange energy between two given atoms. Fukui atomic nucleophilic reactivity index.
Randi ‘s molecular connectivity index. Minimum electrostatic potential at the codessa pro surface. Fractional hydrogen bonding acceptor ability of the molecule. Mulliken atomic partial charges.
Fractional partial negative surface area. Relative shadow areas of a molecule. Solvent-accessible molecular surface area. Fractional atomic charge weighted partial positive surface area.
Codessa Pro |
por Total molecular one-center electron-electron repulsion energy. Resonance energy between given two codessa pro species. References Publications referenced by this paper.
Minimum most negative and maximum most positive atomic partial charges. Zefirov’s empirical atomic partial charges. Total charge weighted partial positively charged surface area.
Browsing by Modeling software “CODESSA PRO”
Culicidae Search for additional papers on codessa pro topic. Fractional total charge weighted partial positive surface area. Repellent activity of essential oils and some of their individual constituents against Tribolium castaneum herbst. Partial negatively charged surface area. Fractional partial positive surface area.
The CODESSA PRO project
Problems with molecular mechanics implementations on the example of 4-benzoyl 4-methyl-imidazolyl -carbonylthiosemicarbazide. Total interaction energy between two given two atomic species. Gasteiger-Marsili empirical atomic partial charges.