Published in J Phys Chem B on January 08, 2015
Role of Hayman technique and its modification in recurrent puerperal uterine inversion. J Obstet Gynaecol Res (2012) 1.39
Sensitivity of polar solvation dynamics to the secondary structures of aqueous proteins and the role of surface exposure of the probe. J Am Chem Soc (2005) 0.97
Are there stable ion-pairs in room-temperature ionic liquids? Molecular dynamics simulations of 1-n-butyl-3-methylimidazolium hexafluorophosphate. J Am Chem Soc (2009) 0.92
Unusual room temperature CO2 uptake in a fluoro-functionalized MOF: insight from Raman spectroscopy and theoretical studies. Chem Commun (Camb) (2012) 0.82
Theoretical investigations of candidate crystal structures for β-carbonic acid. J Chem Phys (2011) 0.81
Anomalous dielectric relaxation of water molecules at the surface of an aqueous micelle. J Chem Phys (2004) 0.80
Dynamics of bound and free water in an aqueous micellar solution: analysis of the lifetime and vibrational frequencies of hydrogen bonds at a complex interface. Phys Rev E Stat Nonlin Soft Matter Phys (2003) 0.79
Congenital fetal lymphangioma causing shoulder dystocia and uterine rupture. Int J Gynaecol Obstet (2011) 0.79
Vibrational spectra of linear oligomers of carbonic acid: a quantum chemical study. J Phys Chem A (2012) 0.79
What molecular features govern the mechanism of supramolecular polymerization? Chemphyschem (2012) 0.79
Reactogenicity and safety of the human rotavirus vaccine, Rotarix™ in The Philippines, Sri Lanka, and India: a post-marketing surveillance study. Hum Vaccin Immunother (2014) 0.79
Effect of cation symmetry on the organization of ionic liquids near a charged mica surface. J Phys Condens Matter (2014) 0.78
Flexible and rigid amine-functionalized microporous frameworks based on different secondary building units: supramolecular isomerism, selective CO(2) capture, and catalysis. Chemistry (2014) 0.77
Carbonic acid: molecule, crystal and aqueous solution. Chem Commun (Camb) (2013) 0.77
CO2 migration pathways in oxalate decarboxylase and clues about its active site. J Phys Chem B (2013) 0.77
Supramolecular polymerization of benzene-1,3,5-tricarboxamide: a molecular dynamics simulation study. J Phys Chem B (2014) 0.76
Structural correlations and charge ordering in a room-temperature ionic liquid. Chemphyschem (2008) 0.76
Studying long-time dynamics of imidazolium-based ionic liquids with a systematically coarse-grained model. Phys Chem Chem Phys (2010) 0.76
Dynamic atomic force microscopy for ionic liquids: massless model shows the way. Chemphyschem (2012) 0.76
Orientational ordering of ionic liquids near a charged mica surface. Chemphyschem (2012) 0.75
Evolution of intermolecular structure and dynamics in supercritical carbon dioxide with pressure: an ab initio molecular dynamics study. J Phys Chem B (2007) 0.75
Hydration layer of a cationic micelle, C(10)TAB: structure, rigidity, slow reorientation, hydrogen bond lifetime, and solvation dynamics. J Phys Chem B (2005) 0.75
Solvent Clathrate Driven Dynamic Stereomutation of a Supramolecular Polymer with Molecular Pockets. J Am Chem Soc (2017) 0.75
Modelling room temperature ionic liquids. Chem Commun (Camb) (2008) 0.75
Correlation between dynamic heterogeneity and local structure in a room-temperature ionic liquid: a molecular dynamics study of [bmim][PF(6)]. Chemphyschem (2010) 0.75
Dissolution of cellulose in ionic liquids: an ab initio molecular dynamics simulation study. Phys Chem Chem Phys (2014) 0.75
Separation/purification of ethylene from an acetylene/ethylene mixture in a pillared-layer porous metal-organic framework. Chem Commun (Camb) (2017) 0.75
Supramolecular Polymerization of N,N',N'',N''' -tetra-(tetradecyl)-1,3,6,8-pyrenetetracarboxamide: A Computational Study. J Phys Chem B (2017) 0.75
Effect of pillar modules and their stoichiometry in 3D porous frameworks of Zn(II) with [Fe(CN)6]3-: high CO2/N2 and CO2/CH4 selectivity. Inorg Chem (2013) 0.75
Phase behaviour of ultrathin crystalline n-heptane films on graphite: an atomistic simulation study. Phys Chem Chem Phys (2005) 0.75
Atomistic simulations of ammonium-based protic ionic liquids: steric effects on structure, low frequency vibrational modes and electrical conductivity. Phys Chem Chem Phys (2015) 0.75
Liquid dimethyl carbonate: a quantum chemical and molecular dynamics study. J Phys Chem B (2012) 0.75
Homogenous mixing of ionic liquids: molecular dynamics simulations. Phys Chem Chem Phys (2013) 0.75
Thermal phase behavior and ion hopping in a 1,2,4-triazolium perfluorobutanesulfonate protic organic ionic plastic crystal. Phys Chem Chem Phys (2015) 0.75
Quantitative prediction of physical properties of imidazolium based room temperature ionic liquids through determination of condensed phase site charges: a refined force field. J Phys Chem B (2014) 0.75
Ionic liquids: the fundamentals and forces driving their rise. Chemphyschem (2012) 0.75
Ab initio molecular-dynamics study of supercritical carbon dioxide. J Chem Phys (2004) 0.75
n-Heptane under pressure: structure and dynamics from molecular simulations. J Phys Chem B (2005) 0.75
Slow ligand-induced conformational switch increases the catalytic rate in Plasmodium falciparum hypoxanthine guanine xanthine phosphoribosyltransferase. Mol Biosyst (2015) 0.75
Enhanced molecular multipole moments and solvent structure in supercritical carbon dioxide. Chemphyschem (2004) 0.75
Shear viscosity of the ionic liquid 1-n-butyl 3-methylimidazolium hexafluorophosphate [bmim][pf6] computed by reverse nonequilibrium molecular dynamics. J Phys Chem B (2008) 0.75
Molecular Mechanism behind Solvent Concentration-Dependent Optimal Activity of Thermomyces lanuginosus Lipase in a Biocompatible Ionic Liquid: Interfacial Activation through Arginine Switch. J Phys Chem B (2016) 0.75
Vibrational signatures of cation-anion hydrogen bonding in ionic liquids: a periodic density functional theory and molecular dynamics study. J Phys Chem B (2015) 0.75
Amide functionalized microporous organic polymer (Am-MOP) for selective CO₂ sorption and catalysis. ACS Appl Mater Interfaces (2014) 0.75
Three-dimensional metal-organic framework with highly polar pore surface: H2 and CO2 storage characteristics. Inorg Chem (2012) 0.75
Electron donor-acceptor interactions in ethanol-CO2 mixtures: an ab initio molecular dynamics study of supercritical carbon dioxide. J Phys Chem B (2006) 0.75