C. McBride

发表

Molecular dynamics simulations of a flexible liquid crystal

Mark R. Wilson, C. McBride, M. Wilson, 1999 .

2 7 O ct 2 00 6 Computers and Liquid State Statistical Mechanics

C. McBride, 2006 .

Scientists in silico

C. McBride, 2017, 1711.00678.

Computers and Liquid State Statistical Mechanics

C. McBride, 2006, cond-mat/0610771.

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

C. McBride, J. J. Freire, A. M. Rubio, 2016 .

Coarse-Grained and Atomistic Simulations for the G = 4 PAMAM-EDA Dendrimer

C. McBride, J. J. Freire, A. M. Rubio, 2015 .

Binary Interactions between Dendrimer Molecules. A Simulation Study

C. McBride, J. J. Freire, A. M. Rubio, 2014 .

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

C. McBride, E. Lomba, N. G. Almarza, 2007, The Journal of chemical physics.

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

C. McBride, J. J. Freire, K. Grela, 2011, The journal of physical chemistry. A.

Liquid crystal phase formation for the linear tangent hard sphere model from Monte Carlo simulations

C. Vega, C. McBride, L. G. Macdowell, 2001 .

The second virial coefficient of the dipolar two center Lennard-Jones modelElectronic supplementary information (ESI) available: computer programs and ancillary data. See http://www.rsc.org/suppdata/cp/b2/b200781a/

C. Vega, C. McBride, C. Menduiña, 2002 .

The second virial coefficient of quadrupolar two center Lennard-Jones models

C. Vega, C. McBride, C. Menduiña, 2001 .

The range of meta stability of ice-water melting for two simple models of water

E. Sanz, J. Abascal, C. McBride, 2005, 0902.3966.

Non-Markovian melting: a novel procedure to generate initial liquid like phases for small molecules for use in computer simulation studies

Carlos Vega, Eduardo Sanz, Carl McBride, 2005, Comput. Phys. Commun..

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.

C. Vega, E. Sanz, J. Abascal, 2005, Physical chemistry chemical physics : PCCP.

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

C. McBride, J. J. Freire, A. Ahmadi, 2013, The journal of physical chemistry. B.

The fluid–solid equilibrium for a charged hard sphere model revisited

C. Vega, J. Abascal, C. McBride, 2003 .

Molecular modeling of flexible molecules. Vapor-liquid and fluid-solid equilibria

A. Galindo, C. Vega, E. Sanz, 2004 .

Hard biaxial ellipsoids revisited: Numerical results

C. McBride, E. Lomba, 2006, cond-mat/0611360.

The effect of flexibility on the phase diagram of simple molecular models

C. Vega, C. McBride, L. G. Macdowell, 2002 .

Atomistic Modelling of Liquid Crystal Phases

C. McBride, M. Cook, M. Wilson, 2000 .

Molecular dynamics simulations of liquid crystal phases using atomistic potentials

Mark R. Wilson, Carl McBride, C. McBride, 1998 .

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.

C. Vega, E. Noya, C. McBride, 2012, Physical chemistry chemical physics : PCCP.

Heat capacity of water: A signature of nuclear quantum effects.

C. Vega, J. Abascal, E. Noya, 2010, The Journal of chemical physics.

A Monte Carlo study of the influence of molecular flexibility on the phase diagram of a fused hard sphere model

C. Vega, C. McBride, 2002 .

Isotropic-nematic phase transition: Influence of intramolecular flexibility using a fused hard sphere model.

C. Vega, C. McBride, L. G. Macdowell, 2001, Physical review. E, Statistical, nonlinear, and soft matter physics.

Anomalies in water as obtained from computer simulations of the TIP4P/2005 model: density maxima, and density, isothermal compressibility and heat capacity minima

C. Vega, J. Abascal, E. Noya, 2009, 0905.4009.

Can gas hydrate structures be described using classical simulations?

C. Vega, E. Noya, C. McBride, 2010, The Journal of chemical physics.

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

C. Vega, E. Noya, C. McBride, 2010, 1012.2310.

Can simple models describe the phase diagram of water?

C. Vega, E. Sanz, J. Abascal, 2005 .

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

C. Vega, E. Sanz, J. Abascal, 2014, Physical chemistry chemical physics : PCCP.

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

C. Vega, J. Abascal, C. McBride, 2003, Physical review. E, Statistical, nonlinear, and soft matter physics.

The properties of fully flexible Lennard-Jones chains in the solid phase: Wertheim theory and simulation

C. Vega, E. Sanz, C. McBride, 2003, 0902.4148.

The phase diagram of the two center Lennard-Jones model as obtained from computer simulation and Wertheim's thermodynamic perturbation theory

A. Galindo, C. Vega, C. McBride, 2003 .

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

C. Vega, E. Sanz, J. Abascal, 2004, The Journal of chemical physics.

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

C. Vega, E. Noya, C. McBride, 2009, The Journal of chemical physics.

The phase diagram of water from quantum simulations.

C. Vega, E. Noya, C. McBride, 2012, Physical chemistry chemical physics : PCCP.

The phase diagram of water from quantum simulations.

C. Vega, E. Noya, C. McBride, 2012, Physical chemistry chemical physics : PCCP.

Can gas hydrate structures be described using classical simulations?

C. Vega, E. Noya, C. McBride, 2010, The Journal of chemical physics.

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

C. Vega, E. Noya, C. McBride, 2011, The Journal of chemical physics.

Fluid solid equilibrium for two dimensional tangent hard disk chains from Wertheim’s perturbation theory

C. Vega, C. McBride, 2002 .

wikiFactor: a measure of the importance of a wiki site

Carl McBride, C. McBride, 2009, 0902.3439.

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

C. McBride, J. J. Freire, A. Ahmadi, 2013, The journal of physical chemistry. B.