(Q57663748)

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:21694472%20AND%20SRC:MED&resulttype=core&format=json

5 February 2020

title

Using molecular-dynamics simulations to understand and improve the treatment of anharmonic vibrations. I. Study of positional parameters (English)

1 reference

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5 February 2020

1

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:21694472%20AND%20SRC:MED&resulttype=core&format=json

5 February 2020

Carole A. Morrison

series ordinal

2

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:21694472%20AND%20SRC:MED&resulttype=core&format=json

5 February 2020

author name string

David W H Rankin

series ordinal

3

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:21694472%20AND%20SRC:MED&resulttype=core&format=json

5 February 2020

publication date

26 May 2011

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:21694472%20AND%20SRC:MED&resulttype=core&format=json

Acta Crystallographica Section A: Foundations and Advances

5 February 2020

published in

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:21694472%20AND%20SRC:MED&resulttype=core&format=json

5 February 2020

volume

67

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:21694472%20AND%20SRC:MED&resulttype=core&format=json

5 February 2020

issue

Pt 4

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:21694472%20AND%20SRC:MED&resulttype=core&format=json

5 February 2020

page(s)

336-345

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:21694472%20AND%20SRC:MED&resulttype=core&format=json

describes a project that uses

5 February 2020

molecular dynamics simulation

1 reference

based on heuristic

inferred from title

cites work

Unified Approach for Molecular Dynamics and Density-Functional Theory

1 reference

https://api.crossref.org/works/10.1107%2FS0108767311013948

Interferenz von Röntgenstrahlen und Wärmebewegung

21 January 2018

1 reference

https://api.crossref.org/works/10.1107%2FS0108767311013948

How phonons govern the behavior of short, strong hydrogen bonds in urea-phosphoric acid

21 January 2018

1 reference

https://api.crossref.org/works/10.1107%2FS0108767311013948

Canonical dynamics: Equilibrium phase-space distributions

21 January 2018

1 reference

https://api.crossref.org/works/10.1107%2FS0108767311013948

Toward understanding mobile proton behavior from first principles calculation: the short hydrogen bond in crystalline urea-phosphoric acid

21 January 2018

1 reference

https://api.crossref.org/works/10.1107%2FS0108767311013948

Generalized Gradient Approximation Made Simple

21 January 2018

1 reference

https://api.crossref.org/works/10.1107%2FS0108767311013948

Simulating thermal motion in crystalline phase-I ammonia

21 January 2018

1 reference

https://api.crossref.org/works/10.1107%2FS0108767311013948

Determination of the experimental equilibrium structure of solid nitromethane using path-integral molecular dynamics simulations

21 January 2018

1 reference

https://api.crossref.org/works/10.1107%2FS0108767311013948

The Phonon Spectrum of Phase-I Ammonia: Reassignment of Lattice Mode Symmetries from Combined Molecular and Lattice Dynamics Calculations

21 January 2018

1 reference

https://api.crossref.org/works/10.1107%2FS0108767311013948

Using molecular-dynamics simulations to understand and improve the treatment of anharmonic vibrations. II. Developing and assessing new Debye–Waller factors

21 January 2018

1 reference

https://api.crossref.org/works/10.1107%2FS0108767311013948

Experimental equilibrium crystal structures: Molecular dynamics as a probe for atomic probability density functions

21 January 2018

1 reference

https://api.crossref.org/works/10.1107%2FS0108767311013948

10.1107/S0108767311013948

21 January 2018

Identifiers

DOI

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:21694472%20AND%20SRC:MED&resulttype=core&format=json

5 February 2020

1 reference