Density functional benchmark for quadruple hydrogen bonds

Usman Ahmed; Mikael P. Johansson; Susi Lehtola; Dage Sundholm

doi:10.1039/d5cp00836k

Density functional benchmark for quadruple hydrogen bonds

Usman Ahmed, Mikael P. Johansson, Susi Lehtola, Dage Sundholm

Forskningsoutput: Tidskriftsbidrag › Artikel › Vetenskaplig › Peer review

Originalspråk	engelska
Tidskrift	Physical Chemistry Chemical Physics
Antal sidor	13
ISSN	1463-9076
DOI	https://doi.org/10.1039/d5cp00836k
Status	Publicerad - 3 apr. 2025
MoE-publikationstyp	A1 Tidskriftsartikel-refererad

Vetenskapsgrenar

116 Kemi

Åtkomst av dokument

10.1039/d5cp00836kLicens: CC BY

d5cp00836kSlutlig publicerad version, 1,22 MBLicens: CC BY

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@article{02448b6d75ae4c129cfb477b166faefc,

title = "Density functional benchmark for quadruple hydrogen bonds",

keywords = "Generalized gradient approximation, Main-group thermochemistry, Correlation-energy, Noncovalent interactions, Adjustable-parameters, Improved accuracy, Broad accuracy, Hartree-fock, Basis-sets, Exchange, 116 Chemical sciences",

author = "Usman Ahmed and Johansson, \{Mikael P.\} and Susi Lehtola and Dage Sundholm",

year = "2025",

month = apr,

day = "3",

doi = "10.1039/d5cp00836k",

language = "English",

journal = "Physical Chemistry Chemical Physics",

issn = "1463-9076",

publisher = "Royal Society of Chemistry",

}

TY - JOUR

T1 - Density functional benchmark for quadruple hydrogen bonds

AU - Ahmed, Usman

AU - Johansson, Mikael P.

AU - Lehtola, Susi

AU - Sundholm, Dage

PY - 2025/4/3

Y1 - 2025/4/3

KW - Generalized gradient approximation

KW - Main-group thermochemistry

KW - Correlation-energy

KW - Noncovalent interactions

KW - Adjustable-parameters

KW - Improved accuracy

KW - Broad accuracy

KW - Hartree-fock

KW - Basis-sets

KW - Exchange

KW - 116 Chemical sciences

U2 - 10.1039/d5cp00836k

DO - 10.1039/d5cp00836k

M3 - Article

C2 - 40200915

SN - 1463-9076

JO - Physical Chemistry Chemical Physics

JF - Physical Chemistry Chemical Physics

ER -