Advanced search

Authors whose works are in public domain in at least one jurisdiction

List of works by Carl McBride

A quantum propagator for path-integral simulations of rigid molecules ⬇️

scientific article published on 01 February 2011

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

scientific article published on 05 October 2012

Can gas hydrate structures be described using classical simulations?

scientific article published on 01 March 2010

Characterization of the order-disorder transition of a charged hard-sphere model

scientific article published on 25 November 2003

Force field parametrization and molecular dynamics simulation of flexible POSS-linked (NHC; phosphine) Ru catalytic complexes

scientific article published on 10 October 2011

Formation of high density amorphous ice by decompression of ice VII and ice VIII at 135 K

scientific article published on 01 December 2004

Heat capacity of water: A signature of nuclear quantum effects

scientific article published on 01 January 2010

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

scientific article published on 22 November 2013

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

scientific article published on 01 December 2014

Phase behavior of attractive and repulsive ramp fluids: integral equation and computer simulation studies.

scientific article published in June 2007

Quantum contributions in the ice phases: The path to a new empirical model for water—TIP4PQ/2005

scientific article published on 01 July 2009

Radial distribution functions and densities for the SPC/E, TIP4P and TIP5P models for liquid water and ices Ih, Ic, II, III, IV, V, VI, VII, VIII, IX, XI and XII

scientific article published on 01 April 2005

Scaling laws for the equation of state of flexible and linear tangent hard sphere chains.

scientific article published on 3 May 2002

The phase diagram of water from quantum simulations

scientific article published on 22 June 2012

Paulina is supported by:

About Paulina

Help