
paie electron daata-graheeta

peda paramiti (paie electron daata-graheeta) anedi paie-electron pratyaamnaaya prabhava sthaayi, dheenini mesomeric ledhaa pratidhvani prabhavam anie kooda varnistaaru. seda-oka paripuurakaramaina sthaayi kooda undhi. peda viluva entha sanukoolamgaa unte, paie-electron daanam antha ekkuva pratyaamnaayam avutundi. marinta pratikuula peda, marinta paie-electron upasamharana pratyaamnaayam (diguva pattikanu chudandi).
icchina pratyaamnaayaaniki peda paraamitini quantum chemistry paddhatula dwara lekkistaaru. namuunaa anuvu mono substituted benzene. modata jyaamitini tagina siddhaanta namuunaatoe optimize cheyali, taruvaata sahaja bandha kakshya siddhaantam yokka chatramlo sahaja janabha vislaeshanha nirvahinchabadutundi. sugandha benzene valayamu z-akshaniki lambamgaa unde vidhamgaa anuvu oriyentedgaa undaali. appudu, ring carbon anuvula 2pz kakshya vruttulu mottam paie-occupation ivvadaaniki sangrahinchabadataayi. eee viluva nundi pratyaamnaayam kaani benzin kosam paie-occupation mottam (huckel niyamaaniki anugunamgaa viluva 6 kii daggaragaa untundi) asalu peda paramiti phalitamgaa teesiveyabadutundi. - nh2, oh ledhaa-f vanti pratyaamnaayaalanu daanam chese paie-electronku peda paramiti sanukoolamgaa untundi, mariyu-nh2,-bh2 ledhaa-cn vanti pratyaamnaayaalanu upasamharinchukune paie-electronku peda pratikuulamgaa untundi.
peda scalenu vojsiech pii kanugonnaru. ojiminsky mariyu zaan cised. dobrolsky mariyu vivaralu asalu kaagitamlo andubaatulo unnaayi.
peda scale saralamgaa toft-topsum σr paramiti vanti prayogaatmaka pratyaamnaaya sthiraamkaalatho sahasambandham kaligi untundi.
peda yokka sulabhamaina ganana kosam graphical user interfaceto tii. sii. ell. prograamlo vraayabadina vidya prayojanaala kosam aeromatl uchitamgaa andubaatulo undhi.
vividha aksharaala pratyaamnaayaala kosam paie-electron vruttulu mariyu peda paramiti mottaalu eee krindi pattikalo sekarinchabaddayih

