Inverse design of molecules with optimal reactivity properties: acidity of 2-naphtol derivatives

Onderzoeksoutput: Article › peer review

22 Citaten (Scopus)

Samenvatting

@article{f789a695d52e4281b3bfa6aef97b3a7a,

title = "Inverse design of molecules with optimal reactivity properties: acidity of 2-naphtol derivatives",

abstract = "Inverse design of molecules with optimal reactivity properties: acidity of 2-naphtol derivatives",

keywords = "Inverse design of molecules with optimal reactivit",

author = "{De Vleeschouwer}, Freija and W. Yang and {N. Beratan}, David and Paul Geerlings and {De Proft}, Frank",

year = "2012",

month = nov,

day = "1",

language = "English",

volume = "14",

pages = "16002--16013",

journal = "PCCP",

issn = "1463-9076",

publisher = "Royal Society of Chemistry",

}

TY - JOUR

T1 - Inverse design of molecules with optimal reactivity properties: acidity of 2-naphtol derivatives

AU - De Vleeschouwer, Freija

AU - Yang, W.

AU - N. Beratan, David

AU - Geerlings, Paul

AU - De Proft, Frank

PY - 2012/11/1

Y1 - 2012/11/1

N2 - Inverse design of molecules with optimal reactivity properties: acidity of 2-naphtol derivatives

AB - Inverse design of molecules with optimal reactivity properties: acidity of 2-naphtol derivatives

KW - Inverse design of molecules with optimal reactivit

M3 - Article

SN - 1463-9076

VL - 14

SP - 16002

EP - 16013

JO - PCCP

JF - PCCP

ER -