Random versus Systematic Errors in Reaction Enthalpies Computed Using Semiempirical and Minimal Basis Set Methods

Jimmy Charnley Kromann, Alexander Welford, Anders S. Christensen, Jan Halborg Jensen

7 Citations (Scopus)

75 Downloads (Pure)

Access to Document

@article{ac9ba9103e054bcfb59dc334aa7d9d21,

title = "Random versus Systematic Errors in Reaction Enthalpies Computed Using Semiempirical and Minimal Basis Set Methods",

author = "Kromann, {Jimmy Charnley} and Alexander Welford and Christensen, {Anders S.} and Jensen, {Jan Halborg}",

year = "2018",

month = apr,

day = "30",

doi = "10.1021/acsomega.8b00189",

language = "English",

volume = "3",

pages = "4372--4377",

journal = "ACS Omega",

issn = "2470-1343",

publisher = "ACS Publications",

number = "4",

}

TY - JOUR

T1 - Random versus Systematic Errors in Reaction Enthalpies Computed Using Semiempirical and Minimal Basis Set Methods

AU - Kromann, Jimmy Charnley

AU - Welford, Alexander

AU - Christensen, Anders S.

AU - Jensen, Jan Halborg

PY - 2018/4/30

Y1 - 2018/4/30

U2 - 10.1021/acsomega.8b00189

DO - 10.1021/acsomega.8b00189

M3 - Journal article

C2 - 31458662

SN - 2470-1343

VL - 3

SP - 4372

EP - 4377

JO - ACS Omega

JF - ACS Omega

IS - 4

ER -