Low dimensional representations along intrinsic reaction coordinates and molecular dynamics trajectories using interatomic distance matrices

Stephanie R. Hare; Lars A. Bratholm; David R. Glowacki; Barry K. Carpenter

doi:10.1039/C9SC02742D

Low dimensional representations along intrinsic reaction coordinates and molecular dynamics trajectories using interatomic distance matrices

Stephanie R. Hare, Lars A. Bratholm, David R. Glowacki, Barry K. Carpenter

Research output: Contribution to journal › Article (Academic Journal) › peer-review

16 Citations (Scopus)

116 Downloads (Pure)

Original language	English
Pages (from-to)	9954-9968
Journal	Chemical Science
Volume	10
Issue number	43
Early online date	18 Sep 2019
DOIs	https://doi.org/10.1039/C9SC02742D
Publication status	E-pub ahead of print - 18 Sep 2019

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10.1039/C9SC02742DLicence: CC BY

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This is the final published version of the article (version of record). It first appeared online via Royal Society of Chemistry at https://doi.org/ 10.1039/C9SC02742D . Please refer to any applicable terms of use of the publisher.
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Cite this

@article{b551dfecb07d4870a998ace57a99e1bc,

title = "Low dimensional representations along intrinsic reaction coordinates and molecular dynamics trajectories using interatomic distance matrices",

author = "Hare, {Stephanie R.} and Bratholm, {Lars A.} and Glowacki, {David R.} and Carpenter, {Barry K.}",

year = "2019",

month = sep,

day = "18",

doi = "10.1039/C9SC02742D",

language = "English",

volume = "10",

pages = "9954--9968",

journal = "Chemical Science",

issn = "2041-6520",

publisher = "Royal Society of Chemistry",

number = "43",

}

Low dimensional representations along intrinsic reaction coordinates and molecular dynamics trajectories using interatomic distance matrices. / Hare, Stephanie R.; Bratholm, Lars A.; Glowacki, David R.; Carpenter, Barry K.

In: Chemical Science, Vol. 10, No. 43, 18.09.2019, p. 9954-9968.

Research output: Contribution to journal › Article (Academic Journal) › peer-review

TY - JOUR

T1 - Low dimensional representations along intrinsic reaction coordinates and molecular dynamics trajectories using interatomic distance matrices

AU - Hare, Stephanie R.

AU - Bratholm, Lars A.

AU - Glowacki, David R.

AU - Carpenter, Barry K.

PY - 2019/9/18

Y1 - 2019/9/18

UR - https://doi.org/10.1039/C9SC02742D

U2 - 10.1039/C9SC02742D

DO - 10.1039/C9SC02742D

M3 - Article (Academic Journal)

VL - 10

SP - 9954

EP - 9968

JO - Chemical Science

JF - Chemical Science

SN - 2041-6520

IS - 43

ER -

Low dimensional representations along intrinsic reaction coordinates and molecular dynamics trajectories using interatomic distance matrices

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Reactive Scattering Dynamics at the Gas-Liquid Interface: Bridging the Gap between the Gas-Phase and Solution

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Low dimensional representations along intrinsic reaction coordinates and molecular dynamics trajectories using interatomic distance matrices

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Reactive Scattering Dynamics at the Gas-Liquid Interface: Bridging the Gap between the Gas-Phase and Solution

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