
[Related PubMed/MEDLINE] Total Number of Papers: 42



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No. 
Year 
Title 
Cooccurring Abbreviation 
1 
2018 
Integral equation theory based direct and accelerated systematic coarsegraining approaches. 
CG, IBI, MD, OZ 
2 
2017 
Coexistence of low and high overlap phases in a supercooled liquid: An integral equation investigation. 
RY 
3 
2016 
A closure relation to molecular theory of solvation for macromolecules. 
GF, KH, MD, MSA, RISM 
4 
2016 
A referencemodified density functional theory: An application to solvation freeenergy calculations for a LennardJones solution. 
DFT, LJ, SFE 
5 
2016 
Correlational and thermodynamic properties of finitetemperature electron liquids in the hypernettedchain approximation. 
PIMC, QMC 
6 
2016 
Water based on a molecular model behaves like a hardsphere solvent for a nonpolar solute when the reference interaction site model and related theories are employed. 
ADIE, DRISM, KH, MA, RSIE 
7 
2015 
Effects of Bridge Functions on Radial Distribution Functions of Liquid Water. 
RDFs 
8 
2014 
An investigation of the liquid to glass transition using integral equations for the pair structure of coupled replicae. 
RFOT, RY 
9 
2014 
Effects of bridge functions on radial distribution functions of liquid water. 
RDFs 
10 
2014 
Fourth virial coefficient of additive hardsphere mixtures in the PercusYevick and hypernettedchain approximations. 
PY 
11 
2014 
Highly asymmetric electrolytes in the primitive model: hypernetted chain solution in arbitrary spatial dimensions. 
PM 
12 
2014 
Ion permeation inside microgel particles induced by specific interactions: from charge inversion to overcharging. 
 
13 
2013 
Extended molecular OrnsteinZernike integral equation for fully anisotropic solute molecules: formulation in a rectangular coordinate system. 
XMOZ 
14 
2012 
Efficient treatment of solvation shells in 3D molecular theory of solvation. 
3DRISM, KH, MDIIS 
15 
2012 
The application of the replica ornsteinzernike methodology for studying ionic membrane equilibria. 
ROZ 
16 
2012 
Thermodynamics of Asymmetric Primitive Model Electrolytes via the Hypernetted Chain Approximation. 
HVB, OZ 
17 
2011 
Atomistic description of binary lanthanoid salt solutions: a coarsegraining approach. 
MC, MD, RDF 
18 
2011 
String formation and demixing in monolayers of dipolar colloidal mixtures. 
 
19 
2010 
Protein solvation from theory and simulation: Exact treatment of Coulomb interactions in threedimensional theories. 
 
20 
2010 
Simple relationship between the virialroute hypernettedchain and the compressibilityroute PercusYevick values of the fourth virial coefficient. 
PY 
21 
2009 
Addendum to "Equation of state of classical Coulomb plasma mixtures". 
 
22 
2009 
Ion structure in warm dense matter: benchmarking solutions of hypernettedchain equations by firstprinciple simulations. 
 
23 
2009 
Ionspecific thermodynamics of multicomponent electrolytes: a hybrid HNC/MD approach. 
MC, MD 
24 
2009 
Reference interaction site model investigation of homonuclear hard dumbbells under simple fluid theory closures: comparison with Monte Carlo simulations. 
MHNC, PY, RISM 
25 
2009 
The mean activity coefficients of 2:2 electrolyte solutions: an integral equation study of the restricted primitive model. 
RPM 
26 
2009 
Theoretical study of solvent effects on the coilglobule transition. 
MBSP, PRISM, PY 
27 
2008 
Fluids of hard natural and Gaussian ellipsoids: A comparative study by integral equation theories. 
HER, HGO, PY 
28 
2008 
Hydration of ionic species studied by the reference interaction site model with a repulsive bridge correction. 
PLHNC, RBC, RISM 
29 
2008 
Pairdistribution functions of twotemperature twomass systems: comparison of molecular dynamics, classicalmap hypernetted chain, quantum Monte Carlo, and KohnSham calculations for dense hydrogen. 
CHNC, QMC 
30 
2007 
On attractive interaction of a colloid pair of like charge at infinite dilution. 
ZH 
31 
2007 
Radial distribution function of penetrable sphere fluids to the second order in density. 
PY 
32 
2006 
Ab initio theoretical study of temperature and density dependence of molecular and thermodynamic properties of water in the entire fluid region: autoionization processes. 
KH, MSA 
33 
2006 
Algorithms for the computation of solutions of the OrnsteinZernike equation. 
PAL 
34 
2006 
The structural properties of a twoYukawa fluid: Simulation and analytical results. 
MSA 
35 
2005 
Comparative study on solvation free energy expressions in reference interaction site model integral equation theory. 
GF, PW 
36 
2005 
Effective interactions in the colloidal suspensions from hypernettedchain theory. 
 
37 
2005 
Liquids in equilibrium: beyond the hypernetted chain. 
OZ, RISM 
38 
2005 
Numerical study of a binary Yukawa model in regimes characteristic of globular proteins in solutions. 
MC, rdf's, SAS 
39 
2005 
Solvent phase behavior and the interaction of uniform and patterned solutes. 
 
40 
2004 
Coupled reference interaction site model/simulation approach for thermochemistry of solvation: theory and prospects. 
RISM 
41 
2004 
Structure of peptide solutions: a light scattering and numerical study. 
hCT 
42 
2002 
Evaluation of effective ionion potentials in aqueous electrolytes. 
 
