Heterogeneous nucleation of polymorphs on polymer surfaces: polymer-molecule interactions using a Coulomb and van der Waals model

Nanna Wahlberg; Anders Østergaard Madsen; Kurt Valentin Mikkelsen

doi:10.1007/s00894-018-3664-1

Heterogeneous nucleation of polymorphs on polymer surfaces: polymer-molecule interactions using a Coulomb and van der Waals model

Nanna Wahlberg, Anders Østergaard Madsen, Kurt Valentin Mikkelsen

Department of Chemistry

3 Citations (Scopus)

Original language	English
Article number	155
Journal	Journal of Molecular Modeling
Volume	24
Issue number	7
Number of pages	20
ISSN	1610-2940
DOIs	https://doi.org/10.1007/s00894-018-3664-1
Publication status	Published - 1 Jul 2018

Keywords

Nucleation processes
Acetaminophen on polymers
Modified QM/MM method
Molecule polymer interface

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10.1007/s00894-018-3664-1

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title = "Heterogeneous nucleation of polymorphs on polymer surfaces: polymer-molecule interactions using a Coulomb and van der Waals model",

keywords = "Nucleation processes, Acetaminophen on polymers, Modified QM/MM method, Molecule polymer interface",

author = "Nanna Wahlberg and Madsen, {Anders {\O}stergaard} and Mikkelsen, {Kurt Valentin}",

year = "2018",

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doi = "10.1007/s00894-018-3664-1",

language = "English",

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T2 - polymer-molecule interactions using a Coulomb and van der Waals model

AU - Wahlberg, Nanna

AU - Madsen, Anders Østergaard

AU - Mikkelsen, Kurt Valentin

PY - 2018/7/1

Y1 - 2018/7/1

KW - Nucleation processes

KW - Acetaminophen on polymers

KW - Modified QM/MM method

KW - Molecule polymer interface

U2 - 10.1007/s00894-018-3664-1

DO - 10.1007/s00894-018-3664-1

M3 - Journal article

C2 - 29886556

SN - 1610-2940

VL - 24

JO - Journal of Molecular Modeling

JF - Journal of Molecular Modeling

IS - 7

M1 - 155

ER -

Heterogeneous nucleation of polymorphs on polymer surfaces: polymer-molecule interactions using a Coulomb and van der Waals model

Keywords

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