Wolfram Koch

Max C. Holthausen

"Makemikari anoziva nezvezvakajairwa quantum mechanics achaombera uye nekubatsirwa zvakanyanya kubva kune iyi inonyanya kudzidzisa, yakazara uye yakanyorwa zvakajeka tsananguro ye density functional theory: hwaro hwayo, pfungwa, mazwi, kuita, uye kuita mukushandisa kwakasiyana. Vashandisi veDFT yechimiro, simba, uye maverengero ezvivakwa zvemamorekuru, pamwe nezvidzidzo zvematanho ekuita, zvinotungamirwa kusarudzo dzakanyanya dzenzira dzinoshanda. Waita zvakanaka! Paul von Ragué Schleyer "Gomba rinoonekera muraibhurari yekemisitiri yekombuta rakazadzwa zvakanaka nebhuku rino, rinopa maonero akasiyana-siyana uye ane hunyanzvi pamusoro pechidzidzo.[... vane chinangwa chekushandisa DFT kugadzirisa matambudziko emakemikari." J. F. Stanton, J. Am. Chem. Soc. "Vavariro yevanyori ndeyekutungamira kemisiti kuburikidza neiyo basic theoretical uye inechekuita nehunyanzvi hwekuita zveDFT pamwero uri nyore kunzwisisa wedzidziso. Vanobudirira zvinoyemurika." P. C. H. Mitchell, Appl. Organomet. Chem. "Vanyori vakaita basa rakanakisa kunharaunda yemakemikari. [...] A Chemist's Guide to Density Functional Theory ndizvo chaizvo izvo musoro unoratidza. Inofanira kuva chinhu chinokosha chekunzwisisa uye ruzivo kune vemakemikari vakawanda vachishandisa nzira dzeDFT kugadzirisa. matambudziko emakemikari." M. Kaupp, Angew. Chem.

A Chemist's Guide kune Density Functional Theory