Fast and automatic estimation of transition state structures using tight binding quantum chemical calculations

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@article{4a7115ad674c4aadb3a3c8d47ec2d3e7,

title = "Fast and automatic estimation of transition state structures using tight binding quantum chemical calculations",

author = "Rasmussen, {Maria Harris} and Jensen, {Jan Halborg}",

year = "2020",

doi = "10.7717/peerj-pchem.15",

language = "English",

volume = "2",

journal = "PeerJ Physical Chemistry",

issn = "2689-7733",

publisher = "PeerJ",

number = "e15",

}

TY - JOUR

T1 - Fast and automatic estimation of transition state structures using tight binding quantum chemical calculations

AU - Rasmussen, Maria Harris

AU - Jensen, Jan Halborg

PY - 2020

Y1 - 2020

U2 - 10.7717/peerj-pchem.15

DO - 10.7717/peerj-pchem.15

M3 - Journal article

SN - 2689-7733

VL - 2

JO - PeerJ Physical Chemistry

JF - PeerJ Physical Chemistry

IS - e15

M1 - 2

ER -