Chemical Calculation License Information
| Calculation name | License key name |
|---|---|
| acc | HBDA Plugin |
| acceptor | HBDA Plugin |
| acceptorcount | HBDA Plugin |
| acceptormultiplicity | HBDA Plugin |
| acceptorsitecount | HBDA Plugin |
| acceptortable | HBDA Plugin |
| accsitecount | HBDA Plugin |
| aliphaticatom | Geometry Plugin Group |
| aliphaticatomcount | Geometry Plugin Group |
| aliphaticbondcount | Geometry Plugin Group |
| aliphaticringcount | Geometry Plugin Group |
| aliphaticringcountofsize | Geometry Plugin Group |
| angle | Geometry Plugin Group |
| aromaticatom | Geometry Plugin Group |
| aromaticatomcount | Geometry Plugin Group |
| aromaticbondcount | Geometry Plugin Group |
| aromaticelectrophilicityorder | Huckel Analysis Plugin |
| aromaticnucleophilicityorder | Huckel Analysis Plugin |
| aromaticringcount | Geometry Plugin Group |
| aromaticringcountofsize | Geometry Plugin Group |
| asa | Geometry Plugin Group |
| asymmetricatom | Geometry Plugin Group |
| asymmetricatomcount | Geometry Plugin Group |
| asymmetricatoms | Geometry Plugin Group |
| atomcount | - |
| atomicpolarizability | Charge Plugin Group |
| atompol | Charge Plugin Group |
| averagemicrospeciescharge | Protonation Plugin Group |
| averagemolecularpolarizability | Charge Plugin Group |
| averagepol | Charge Plugin Group |
| avgpol | Charge Plugin Group |
| axxpol | Charge Plugin Group |
| ayypol | Charge Plugin Group |
| azzpol | Charge Plugin Group |
| balabanindex | Geometry Plugin Group |
| bondcount | Geometry Plugin Group |
| bondtype | Geometry Plugin Group |
| canonicalresonant | - |
| canonicaltautomer | Isomers Plugin Group |
| carboaliphaticringcount | Geometry Plugin Group |
| carboaromaticringcount | Geometry Plugin Group |
| carboringcount | Geometry Plugin Group |
| chainatom | Geometry Plugin Group |
| chainatomcount | Geometry Plugin Group |
| chainbond | Geometry Plugin Group |
| chainbondcount | Geometry Plugin Group |
| charge | Charge Plugin Group |
| chargedensity | Huckel Analysis Plugin |
| chargedistribution | Protonation Plugin Group |
| chiralcenter | Geometry Plugin Group |
| chiralcentercount | Geometry Plugin Group |
| chiralcenters | Geometry Plugin Group |
| composition | - |
| conformers | Conformation Plugin Group |
| connected | Geometry Plugin Group |
| connectedgraph | Geometry Plugin Group |
| cyclomaticnumber | Geometry Plugin Group |
| dihedral | Geometry Plugin Group |
| distance | Geometry Plugin Group |
| distancedegree | Geometry Plugin Group |
| dominanttautomerdistribution | Isomers Plugin Group |
| don | HBDA Plugin |
| donor | HBDA Plugin |
| donorcount | HBDA Plugin |
| donormultiplicity | HBDA Plugin |
| donorsitecount | HBDA Plugin |
| donortable | HBDA Plugin |
| donsitecount | HBDA Plugin |
| dotdisconnectedformula | - |
| dotdisconnectedisotopeformula | - |
| doublebondstereoisomercount | Isomers Plugin Group |
| doublebondstereoisomers | Isomers Plugin Group |
| dreidingenergy | Geometry Plugin Group |
| eccentricity | Geometry Plugin Group |
| electrondensity | Huckel Analysis Plugin |
| electrophilicityorder | Huckel Analysis Plugin |
| electrophiliclocalizationenergy | Huckel Analysis Plugin |
| elemanal | - |
| elementalanalysistable | - |
| enumerationcount | Markush Enumeration Plugin |
| enumerations | Markush Enumeration Plugin |
| exactmass | - |
| formalcharge | Charge Plugin Group |
| formula | - |
| fragmentcount | Geometry Plugin Group |
| frameworks | Structural Frameworks Plugin |
| fusedaliphaticringcount | Geometry Plugin Group |
| fusedaromaticringcount | Geometry Plugin Group |
| fusedringcount | Geometry Plugin Group |
| generictautomer | Isomers Plugin Group |
| hararyindex | Geometry Plugin Group |
| hasvalidconformer | Conformation Plugin Group |
| hbda | HBDA Plugin |
| hbonddonoracceptor | HBDA Plugin |
| heteroaliphaticringcount | Geometry Plugin Group |
| heteroaromaticringcount | Geometry Plugin Group |
| heteroringcount | Geometry Plugin Group |
| hindrance | Geometry Plugin Group |
| hmochargedensity | Huckel Analysis Plugin |
| hmoelectrondensity | Huckel Analysis Plugin |
| hmoelectrophilicityorder | Huckel Analysis Plugin |
| hmoelectrophiliclocalizationenergy | Huckel Analysis Plugin |
| hmohuckel | Huckel Analysis Plugin |
| hmohuckeleigenvalue | Huckel Analysis Plugin |
| hmohuckeleigenvector | Huckel Analysis Plugin |
| hmohuckelorbitals | Huckel Analysis Plugin |
| hmohuckeltable | Huckel Analysis Plugin |
| hmolocalizationenergy | Huckel Analysis Plugin |
| hmonucleophilicityorder | Huckel Analysis Plugin |
| hmonucleophiliclocalizationenergy | Huckel Analysis Plugin |
| hmopienergy | Huckel Analysis Plugin |
| huckel | Huckel Analysis Plugin |
| huckeleigenvalue | Huckel Analysis Plugin |
| huckeleigenvector | Huckel Analysis Plugin |
| huckelorbitals | Huckel Analysis Plugin |
| huckeltable | Huckel Analysis Plugin |
| hyperwienerindex | Geometry Plugin Group |
| icomposition | - |
| iformula | - |
| ioncharge | Charge Plugin Group |
| isoelectricpoint | Protonation Plugin Group |
| isotopecomposition | - |
| isotopeformula | - |
| largestatomringsize | Geometry Plugin Group |
| largestringsize | Geometry Plugin Group |
| largestringsystemsize | Geometry Plugin Group |
| leconformer | Conformation Plugin Group |
| localizationenergy | Huckel Analysis Plugin |
| logd | Partitioning Plugin Group |
| logp | Partitioning Plugin Group |
| lowestenergyconformer | Conformation Plugin Group |
| majormicrospecies | Protonation Plugin Group |
| majorms | Protonation Plugin Group |
| majortautomer | Isomers Plugin Group |
| markushenumerationcount | Markush Enumeration Plugin |
| markushenumerations | Markush Enumeration Plugin |
| mass | - |
| maximalprojectionarea | Geometry Plugin Group |
| maximalprojectionradius | Geometry Plugin Group |
| maximalprojectionsize | Geometry Plugin Group |
| microspeciesdistribution | Protonation Plugin Group |
| minimalprojectionarea | Geometry Plugin Group |
| minimalprojectionradius | Geometry Plugin Group |
| minimalprojectionsize | Geometry Plugin Group |
| mmff94energy | Geometry Plugin Group |
| mmff94optimizedstructure | Conformation Plugin Group |
| moldyn | Conformation Plugin Group |
| moleculardynamics | Conformation Plugin Group |
| molecularpolarizability | Charge Plugin Group |
| molecularsurfacearea | Geometry Plugin Group |
| molpol | Charge Plugin Group |
| moststabletautomer | Isomers Plugin Group |
| msa | Geometry Plugin Group |
| msacc | HBDA Plugin |
| msdistr | Protonation Plugin Group |
| msdon | HBDA Plugin |
| name | IUPAC Naming Plugin |
| nucleophilicityorder | Huckel Analysis Plugin |
| nucleophiliclocalizationenergy | Huckel Analysis Plugin |
| oen | Charge Plugin Group |
| orbitalelectronegativity | Charge Plugin Group |
| pi | Protonation Plugin Group |
| pichargedensity | Huckel Analysis Plugin |
| pienergy | Huckel Analysis Plugin |
| pka | Protonation Plugin Group |
| plattindex | Geometry Plugin Group |
| pol | Charge Plugin Group |
| polarizability | Charge Plugin Group |
| polarsurfacearea | - |
| predict | Predictor Plugin |
| predictor | Predictor Plugin |
| psa | - |
| randicindex | Geometry Plugin Group |
| randommarkushenumerations | Markush Enumeration Plugin |
| refractivity | Refractivity Plugin |
| resonantcount | - |
| resonants | - |
| ringatom | Geometry Plugin Group |
| ringatomcount | Geometry Plugin Group |
| ringbond | Geometry Plugin Group |
| ringbondcount | Geometry Plugin Group |
| ringcount | Geometry Plugin Group |
| ringcountofatom | Geometry Plugin Group |
| ringcountofsize | Geometry Plugin Group |
| ringsystemcount | Geometry Plugin Group |
| ringsystemcountofsize | Geometry Plugin Group |
| rotatablebond | Geometry Plugin Group |
| rotatablebondcount | Geometry Plugin Group |
| shortestpath | Geometry Plugin Group |
| smallestatomringsize | Geometry Plugin Group |
| smallestringsize | Geometry Plugin Group |
| smallestringsystemsize | Geometry Plugin Group |
| stereodoublebondcount | Geometry Plugin Group |
| stereoisomercount | Isomers Plugin Group |
| stereoisomers | Isomers Plugin Group |
| stericeffectindex | Geometry Plugin Group |
| sterichindrance | Geometry Plugin Group |
| szegedindex | Geometry Plugin Group |
| tautomercount | Isomers Plugin Group |
| tautomers | Isomers Plugin Group |
| tetrahedralstereoisomercount | Isomers Plugin Group |
| tetrahedralstereoisomers | Isomers Plugin Group |
| tholepolarizability | Charge Plugin Group |
| topanal | Geometry Plugin Group |
| topologyanalysistable | Geometry Plugin Group |
| totalchargedensity | Huckel Analysis Plugin |
| tpol | Charge Plugin Group |
| tpolarizability | Charge Plugin Group |
| vdwsa | Geometry Plugin Group |
| volume | Geometry Plugin Group |
| wateraccessiblesurfacearea | Geometry Plugin Group |
| wienerindex | Geometry Plugin Group |
| wienerpolarity | Geometry Plugin Group |
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