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MCBRIDE ELLIS, CARL

CIENCIAS Y TÉCNICAS FISICOQUÍMICAS / Universidad Nacional de Educación a Distancia

Actividades

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 Ver en origen

  • 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 Ver en origen

  • 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 Ver en origen

  • 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 Ver en origen

  • 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 Ver en origen

  • 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 Ver en origen

  • 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 Ver en origen

  • 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 Ver en origen

  • 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 Ver en origen

  • 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 Ver en origen

  • ISSN/ISBN 0021-9606

Este/a investigador/a no tiene libros.

Este/a investigador/a no tiene capítulos de libro.

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 Ver en origen

  • ISSN 00268976
  • ISSN/ISBN 0026-8976

Este/a investigador/a no tiene documentos de trabajo.

Este/a investigador/a no tiene informes técnicos.

Este/a investigador/a no tiene proyectos de investigación.

Este/a investigador/a no tiene tesis dirigidas.

Este/a investigador/a no tiene patentes o licencias de software.

Última actualización de los datos: 13/08/24 14:06