FragIt: A Tool to Prepare Input Files for Fragment Based Quantum Chemical Calculations

Casper Steinmann, Mikael W. Ibsen, Anne S. Hansen, Jan H. Jensen

Research output: Contribution to journal › Journal article › Research › peer-review

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@article{53b4c5ec92f742a78fbd5ab16677ae14,

title = "FragIt: A Tool to Prepare Input Files for Fragment Based Quantum Chemical Calculations",

author = "Casper Steinmann and Ibsen, {Mikael W.} and Hansen, {Anne S.} and Jensen, {Jan H.}",

year = "2012",

month = sep,

day = "1",

doi = "10.1371/journal.pone.0044480",

language = "English",

volume = "7",

pages = "e44480",

journal = "PLOS ONE",

issn = "1932-6203",

publisher = "Public Library of Science",

number = "9",

}

TY - JOUR

T1 - FragIt

T2 - A Tool to Prepare Input Files for Fragment Based Quantum Chemical Calculations

AU - Steinmann, Casper

AU - Ibsen, Mikael W.

AU - Hansen, Anne S.

AU - Jensen, Jan H.

PY - 2012/9/1

Y1 - 2012/9/1

U2 - 10.1371/journal.pone.0044480

DO - 10.1371/journal.pone.0044480

M3 - Journal article

SN - 1932-6203

VL - 7

SP - e44480

JO - PLOS ONE

JF - PLOS ONE

IS - 9

ER -