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Abbreviation : RISM
Long Form : reference interaction site model
No. Year Title Co-occurring Abbreviation
2020 Application of the Approximate 3D-RISM Molecular Solvation Theory to Acetonitrile as Solvent. GAFF, UFF
2020 Molecular Modeling of Aquaporins from Leishmania major. ---
2019 Distinct ionic adsorption sites in defective Prussian blue: a 3D-RISM study. d-PB, FeHCF, PB
2019 Theory and simulations for RNA folding in mixtures of monovalent and divalent cations. ---
2018 Coupled Cluster Theory Combined with Reference Interaction Site Model Self-Consistent Field Explicitly Including Spatial Electron Density Distribution. ---
2018 Role of Mg2+ Ions in DNA Hydrolysis by EcoRV, Studied by the 3D-Reference Interaction Site Model and Molecular Dynamics. MD
2017 How Mg2+ ion and water network affect the stability and structure of non-Watson-Crick base pairs in E. coli loop E of 5S rRNA: a molecular dynamics and reference interaction site model (RISM) study. MD, non-WC
2017 Implicit Solvation Using the Superposition Approximation (IS-SPA): An Implicit Treatment of the Nonpolar Component to Solvation for Simulating Molecular Aggregation. IS-SPA
2017 Integral equation study of soft-repulsive dimeric fluids. ---
10  2017 Modelling critical Casimir force induced self-assembly experiments on patchy colloidal dumbbells. ---
11  2016 A closure relation to molecular theory of solvation for macromolecules. GF, HNC, KH, MD, MSA
12  2016 A theory of diffusion controlled reactions in polyatomic molecule system. ---
13  2016 Mobility and association of ions in aqueous solutions: the case of imidazolium based ionic liquids. 1,3-DoMIM, Cl, Cl, ILs, MD, MIM
14  2016 Shell formation in short like-charged polyelectrolytes in a harmonic trap. ---
15  2016 The Effect of Molecular Structure and Environment on the Miscibility and Diffusivity in Polythiophene-Methanofullerene Bulk Heterojunctions: Theory and Modeling with the RISM Approach. DFT, MD, P3BT, P3HT, PCBM, UFF
16  2015 Reference interaction site model and optimized perturbation theories of colloidal dumbbells with increasing anisotropy. OPT
17  2015 Reference interaction site model with hydrophobicity induced density inhomogeneity: An analytical theory to compute solvation properties of large hydrophobic solutes in the mixture of polyatomic solvent molecules. RDF, RISM-HI
18  2015 Structure and thermodynamics of core-softened models for alcohols. ---
19  2014 Accurate small and wide angle x-ray scattering profiles from atomic models of proteins and nucleic acids. ---
20  2014 Properties of a soft-core model of methanol: an integral equation theory and computer simulation study. ---
21  2014 Theoretical insights into nucleation of CO2 and CH4 hydrates for CO2 capture and storage. DFT
22  2013 Structural fluctuation of protein in water around its native state: a new statistical mechanics formulation. ---
23  2013 Structure and phase behavior of colloidal dumbbells with tunable attractive interactions. ---
24  2011 Hydration thermodynamics using the reference interaction site model: speed or accuracy? GF, HFE, SDC
25  2011 Multigrid solver for the reference interaction site model of molecular liquids theory. ---
26  2011 Simulation and theory of a model for tetrahedral colloidal particles. ---
27  2011 Towards a more accurate reference interaction site model integral equation theory for molecular liquids. ---
28  2010 Accurate calculations of the hydration free energies of druglike molecules using the reference interaction site model. ---
29  2010 An accurate prediction of hydration free energies by combination of molecular integral equations theory with structural descriptors. SDC
30  2010 Ion solvation in a water-urea mixture. ---
31  2010 Simulation and reference interaction site model theory of methanol and carbon tetrachloride mixtures. ---
32  2009 A highly parallelizable integral equation theory for three dimensional solvent distribution function: application to biomolecules. ---
33  2009 A theoretical analysis of a Diels-Alder reaction in ionic liquids. CP, MA, RTILs
34  2009 Reference interaction site model investigation of homonuclear hard dumbbells under simple fluid theory closures: comparison with Monte Carlo simulations. HNC, MHNC, PY
35  2009 Solvation dynamics in polar solvents studied by means of RISM/mode-coupling theory. MCT
36  2008 An integral equation theory for inhomogeneous molecular fluids: the reference interaction site model approach. ---
37  2008 Hydration of ionic species studied by the reference interaction site model with a repulsive bridge correction. HNC, PLHNC, RBC
38  2008 Localization and visualization of excess chemical potential in statistical mechanical integral equation theory 3D-HNC-RISM. ---
39  2008 Online resource for theoretical study of hydration of biopolymers. ---
40  2008 Quantum chemistry in solution by combining 3D integral equation theory with a cluster embedding approach. ---
41  2008 Solvation thermodynamics of alkali and halide ions in ionic liquids through integral equations. cl
42  2007 A RISM approach to the liquid structure and solvation properties of ionic liquids. RTILs
43  2007 Reference interaction site model and molecular dynamics study of structure and thermodynamics of methanol. ---
44  2005 A coupled reference interaction site model/molecular dynamics study of the potential of mean force curve of the SN2 Cl- + CH3Cl reaction in water. PMF
45  2005 A molecular theory of liquid interfaces. ---
46  2005 Liquids in equilibrium: beyond the hypernetted chain. HNC, OZ
47  2005 Replica Ornstein-Zernike theory of adsorption in a templated porous material: interaction site systems. ---
48  2005 Site-site memory equation approach in study of density/pressure dependence of translational diffusion coefficient and rotational relaxation time of polar molecular solutions: acetonitrile in water, methanol in water, and methanol in acetonitrile. ---
49  2004 An application of coupled reference interaction site model/molecular dynamics to the conformational analysis of the alanine dipeptide. MD
50  2004 Coupled reference interaction site model/simulation approach for thermochemistry of solvation: theory and prospects. HNC
51  2004 Wavelet algorithm for solving integral equations of molecular liquids. A test for the reference interaction site model. ---
52  2002 Methodology of predicting approximate shapes and size distribution of micelles: illustration for simple models. MC