The structural organization of N-methyl-2-pyrrolidone + water mixtures: A densitometry, x-ray diffraction, and molecular dynamics study

Density, Speed of Sound, Viscosity, Refractive Index, and Excess Volume of N-Methyl-2-pyrrolidone (NMP) + Water + Ethanol from T = (293.15 to 323.15) K

(2012) A. Blanco et al.   JOURNAL OF CHEMICAL AND ENGINEERING DATA

The structure of liquid N-methyl pyrrolidone probed by x-ray scattering and molecular simulations

(2012) Lorenzo Gontrani et al.   JOURNAL OF CHEMICAL PHYSICS

Routine Microsecond Molecular Dynamics Simulations with AMBER on GPUs. 1. Generalized Born

(2012) Andreas W. Götz et al.   Journal of Chemical Theory and Computation

Partial atomic charges and their impact on the free energy of solvation

(2012) Joakim P. M. Jämbeck et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Selected chemical–physical properties and structural heterogeneities in 1-ethyl-3-methylimidazolium alkyl-sulfate room temperature ionic liquids

(2010) Olga Russina et al.   CHEMICAL PHYSICS LETTERS

Continuous surface charge polarizable continuum models of solvation. I. General formalism

(2010) Giovanni Scalmani et al.   JOURNAL OF CHEMICAL PHYSICS

Temperature dependences of limiting activity coefficients and Henry's law constants for N-methylpyrrolidone, pyridine, and piperidine in water

(2009) Milan Bernauer et al.   FLUID PHASE EQUILIBRIA

Influence of Temperature and Composition upon Density, Viscosity, Speed of Sound, and Refractive Index of Aqueous Solutions of 1-Ethyl-2-pyrrolidinone

(2009) Antonio Blanco et al.   JOURNAL OF CHEMICAL AND ENGINEERING DATA

PACKMOL: A package for building initial configurations for molecular dynamics simulations

(2009) L. Martínez et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

High-yield production of graphene by liquid-phase exfoliation of graphite

(2008) Yenny Hernandez et al.   Nature Nanotechnology