HyperChem v8.0.6
HyperChemv8.0.6英文正式版(分子模擬軟體)
破解說明:
checkcrack\install.txt
內容說明:
HyperCam是一款以質量高，靈活易操作而聞名的分子模擬軟體。通過3D對量子化學計算
，分子力學及動力學進行模擬。HyperCam為您提供比其它Windows軟體更多的模擬工具
：圖形界面，半經驗計算方法（AM1，PM3等），UHF，RHF和CI，7.0版新增加的密度泛函
。可進行單點能，幾何優化，分子軌道分析，蒙特卡羅和分子力學計算，預測可見-紫外光譜。
英文說明:
HyperChem8hasthecapabilityofbeingagraphicsandGUIprovider
(includingthedisplayingofresults)foranumberofthirdparty
softwarepackages.Thesepackagesmayincludeotherabinitioand
semi-empiricalpackagessuchasGAMESSandMOPAC2007.Includedwith
HyperChem8isthecopyrightedsourcecodeforanumberofthese
interfaces.AstandardmenuiteminHyperChem,"Third-PartyInterfaces"
executesastandardHyperChemCommandLanguage(HCL)scriptinstalled
withtheproduct.Thisscripthasthepre-definedname,thirdparty.scr.
Thisscriptcanbemodifiedbyuserstoaddotherthird-party
applicationsbutcomesincludedwithavarietyofevolvinginterfaces.
Theseinterfacesusestheelegant"openarchitecture"featuresof
HyperChemthatallowsoftwareoutsideHyperChemtointeractand
read/writeinformationto/fromHyperChem.Theinterfacesoftwareis
copyrighted"OpenSource"softwarethatanyHyperChemusercanmodifyto
improvetheinterfaceortocreateanewinterfacetohis/herown
software.Theinterfacesgenerallyallowauser,forexample,toruna
GAMESSjobfromwithinHyperChem,andgetbacktheresultsfordisplay.
Thefirstlevelofinterface,thatisincludedtobeginwithin
HyperChem8,allowsausertodisplayoptimizedstructures,vibrational
spectraandanimationsofnormalmodesplus3Drenderingsoforbitals,
electrondensities,andelectrostaticpotentials.Itistobeexpected
thattheseinterfacesevolvetobecomericherasusersandmembersof
Hypercube,Inc.contributetotheircapability.

HyperChemhastraditionallyoperatedinapurelyinteractivemodewhere
acalculation(abackend,e.g.HyperNewton)isconnectedina"live
fashion"toHyperChem(thefrontend).Thishasbeenthecaseevenwhen
thebackendresidedonanothermachineonthenetwork.Thisisnota
terriblelimitationsinceoncecanrunmanyHyperChemfrontends
simultaneouslyifonelikes.WithHyperChem8,however,onenowhasthe
choiceofrunningacalculationinteractivelyorinBatchmode.InBatch
modethecomputationisseveredandcarriesonbyitselfwhileHyperChem
isfreetoreadinanewmoleculeorcontinueoninanywayitpleases,
includingspawningmorebatchedjobs.Thebackendshavebeeninstructed
bythefrontendthattheyareindeedbatchprocessesandinsteadof
sendingtheirresultslivetothefrontend,theycreatea*.extfile
thatcanbereadatanylatertimeintotheHyperChemfrontendto
displaytheresultsjustasifthecalculationwasruninteractively.

andmore...

http://www.hyper.com/Products/HyperChemProfessional/75Overview/tabid/361/Default.aspx
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