First principles calculation of pKa values for 5-substituted uracils

Yun Hee Jang; Lawrence C. Sowers; Tahir Çagin; William A. Goddard

doi:10.1021/jp994432b

First principles calculation of pK_a values for 5-substituted uracils

Yun Hee Jang, Lawrence C. Sowers, Tahir Çagin, William A. Goddard

Basic Sciences

Research output: Contribution to journal › Article › peer-review

Original language	English
Pages (from-to)	274-280
Number of pages	7
Journal	Journal of Physical Chemistry A
Volume	105
Issue number	1
DOIs	https://doi.org/10.1021/jp994432b
State	Published - Jan 11 2001

ASJC Scopus Subject Areas

Physical and Theoretical Chemistry

Access to Document

10.1021/jp994432b

OpenUrl availability

Full text

Cite this

@article{5e41fb243027495083fbbbab31702555,

title = "First principles calculation of pKa values for 5-substituted uracils",

author = "Jang, {Yun Hee} and Sowers, {Lawrence C.} and Tahir {\c C}agin and Goddard, {William A.}",

year = "2001",

month = jan,

day = "11",

doi = "10.1021/jp994432b",

language = "English",

volume = "105",

pages = "274--280",

journal = "Journal of Physical Chemistry A",

issn = "1089-5639",

number = "1",

}

TY - JOUR

T1 - First principles calculation of pKa values for 5-substituted uracils

AU - Jang, Yun Hee

AU - Sowers, Lawrence C.

AU - Çagin, Tahir

AU - Goddard, William A.

PY - 2001/1/11

Y1 - 2001/1/11

UR - http://www.scopus.com/inward/record.url?scp=0035127984&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=0035127984&partnerID=8YFLogxK

U2 - 10.1021/jp994432b

DO - 10.1021/jp994432b

M3 - Article

AN - SCOPUS:0035127984

SN - 1089-5639

VL - 105

SP - 274

EP - 280

JO - Journal of Physical Chemistry A

JF - Journal of Physical Chemistry A

IS - 1