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MCBRIDE ELLIS, CARL

CIENCIAS Y TÉCNICAS FISICOQUÍMICAS / Universidad Nacional de Educación a Distancia

Publications

Calculation of Conformational Properties and Rouse Relaxation Times of PAMAM-EDA Dendrimers under Different pH Conditions

  • Freire, J.J.
  • Rubio, A.M.
  • McBride, C.

Macromolecular Theory and Simulations (p. 403-412) - 2016

Editor: Wiley-VCH Verlag

10.1002/mats.201600012 View at source

  • ISSN/ISBN 1521-3919

Coarse-grained and atomistic simulations for the G = 4 PAMAM-EDA dendrimer

  • Freire, J.J.
  • Rubio, A.M.
  • McBride, C.

Macromolecular Theory and Simulations (p. 432-441) - 2015

Editor: Wiley-VCH Verlag

10.1002/mats.201500028 View at source

  • ISSN/ISBN 1521-3919

Binary interactions between dendrimer molecules. A simulation study

  • Rubio, A.M.
  • McBride, C.
  • Freire, J.J.

Macromolecules (p. 5379-5387) - 2014

Editor: American Chemical Society

10.1021/ma501127f View at source

  • ISSN/ISBN 1520-5835

Nucleation free-energy barriers with Hybrid Monte-Carlo/Umbrella Sampling

  • Gonzalez, M. A.
  • Sanz, E.
  • McBride, C.
  • Abascal, J. L. F.
  • Vega, C.
  • Valeriani, C.;

Physical Chemistry Chemical Physics (p. 24913-24919) - 1/1/2014

10.1039/c4cp02817a View at source

  • ISSN 14639076
  • ISSN/ISBN 1463-9076

Erratum: A quantum propagator for path-integral simulations of rigid molecules (Journal of Chemical Physics (2011) 134 (054117))

  • Noya, E.G.
  • Vega, C.
  • McBride, C.

Journal of Chemical Physics - 2013

10.1063/1.4809984 View at source

  • ISSN/ISBN 0021-9606

A computer program to evaluate the NVM propagator for rigid asymmetric tops for use in path integral simulations of rigid bodies

  • McBride, C.
  • Noya, E.G.
  • Vega, C.

Computer Physics Communications (p. 885-890) - 2013

10.1016/j.cpc.2012.10.025 View at source

  • ISSN/ISBN 0010-4655

Molecular dynamics simulations of the protonated G4 PAMAM dendrimer in an ionic liquid system

  • Freire, J.J.
  • Ahmadi, A.
  • McBride, C.

Journal of Physical Chemistry B (p. 15157-15164) - 2013

10.1021/jp402586s View at source

  • ISSN/ISBN 1520-6106

The phase diagram of water from quantum simulations

  • McBride, Carl
  • Noya, Eva G.
  • Aragones, Juan L.
  • Conde, Maria M.
  • Vega, Carlos;

Physical Chemistry Chemical Physics (p. 10140-10146) - 1/1/2012

10.1039/c2cp40962c View at source

  • ISSN 14639076
  • ISSN/ISBN 1463-9076

A study of the influence of isotopic substitution on the melting point and temperature of maximum density of water by means of path integral simulations of rigid models

  • McBride, Carl
  • Aragones, Juan L.
  • Noya, Eva G.
  • Vega, Carlos;

Physical Chemistry Chemical Physics (p. 15199-15205) - 1/1/2012

10.1039/c2cp42393f View at source

  • ISSN 14639076
  • ISSN/ISBN 1463-9076

A quantum propagator for path-integral simulations of rigid molecules

  • Noya, E.G.
  • Vega, C.
  • McBride, C.

Journal of Chemical Physics - 2011

10.1063/1.3544214 View at source

  • ISSN/ISBN 0021-9606

This researcher has no books.

This researcher has no book chapters.

Path integral Monte Carlo simulations for rigid rotors and their application to water

  • Noya, Eva G.
  • Sese, Luis M.
  • Ramirez, Rafael
  • McBride, Carl
  • Conde, Maria M.
  • Vega, Carlos;

Molecular Physics (p. 149-168) - 1/1/2011

10.1080/00268976.2010.528202 View at source

  • ISSN 00268976
  • ISSN/ISBN 0026-8976

This researcher has no working papers.

This researcher has no technical reports.

This researcher has no research projects.

This researcher has no supervised thesis.

This researcher has no patents or software licenses.

Last data update: 12/1/24 10:05 AM