Unravelling hydrogen bond network in methanol-propanol mixtures via molecular dynamics simulation and experimental techniques

Radial distribution and hydrogen bonded network graphs of alcohol-aniline binary mixture

(2023) U. Abdulkareem et al.   JOURNAL OF MOLECULAR MODELING

Hydrogen Bonding in 1‐Propanol‐Ethanol Binary Mixture: Experimental and Modeling Approaches

(2022) P. V. Swathi et al.   ChemistrySelect

Hydrogen-bonded networks in alcohol-acetone binary mixtures: molecular dynamics study

(2022) Abdulkareem U et al.   JOURNAL OF MOLECULAR MODELING

More bang for your buck: Improved use of GPU nodes for GROMACS 2018

(2019) Carsten Kutzner et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Review of the Cosolvency Models for Predicting Drug Solubility in Solvent Mixtures: An Update

(2019) Abolghasem Jouyban   JOURNAL OF PHARMACY AND PHARMACEUTICAL SCIENCES

The structure and hydrogen-bond behaviours of binary systems containing ionic liquid 1-butyl-3-methylimidazolium tetrafluoroborate and methanol/ethanol

(2019) Yan-Zhen Zheng et al.   SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY

Phase behaviour and applications of a binary liquid mixture of methanol and a thermotropic liquid crystal

(2018) Luis A. Serrano et al.   Soft Matter

Evidence of anomalous behavior of intermolecular interactions at low concentration of methanol in ethanol-methanol binary system

(2018) K Nilavarasi et al.   SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY

Red/blue shifting hydrogen bonds in acetonitrile-dimethyl sulphoxide solutions: FTIR and theoretical studies

(2017) P.P. Kannan et al.   JOURNAL OF MOLECULAR STRUCTURE

Revisiting the formation of cyclic clusters in liquid ethanol

(2016) Mannix P. Balanay et al.   JOURNAL OF CHEMICAL PHYSICS

Micro-heterogeneity versus clustering in binary mixtures of ethanol with water or alkanes

(2016) Martina Požar et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Microheterogeneity in binary mixtures of methanol with aliphatic alcohols: ATR-IR/NIR spectroscopic, chemometrics and DFT studies

(2016) Władysław Wrzeszcz et al.   RSC Advances

Best bang for your buck: GPU nodes for GROMACS biomolecular simulations

(2015) Carsten Kutzner et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Dielectric relaxation studies of binary mixture of diethylene glycol mono phenyl ether and methanol by Time Domain Reflectometry

(2015) H.A. Chaube et al.   JOURNAL OF MOLECULAR LIQUIDS

Near-Infrared (NIR) Study of Hydrogen Bonding of Methanol Molecules in Polar and Nonpolar Solvents: An Approach from Concentration-Dependent Molar Absorptivity

(2014) Yuho Mikami et al.   APPLIED SPECTROSCOPY

Temperature-dependent microwave dielectric relaxation studies of hydrogen bonded polar binary mixtures of propan-1-ol and propionaldehyde

(2013) T. Vishwam et al.   SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY

Dielectric and excess dielectric constants in non polar+polar binary liquid mixtures of toluene with alcohols at 303, 313 and 323K

(2013) CH.V.V. Ramana et al.   THERMOCHIMICA ACTA

Wettability, FTIR and dielectric studies of 1,4-dioxane and water system

(2011) V. Madhurima et al.   JOURNAL OF COLLOID AND INTERFACE SCIENCE

Hydrogen Bonding and Molecular Aggregates in Liquid Methanol, Ethanol, and 1-Propanol

(2011) Aleksander Vrhovšek et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Refractive Index of Liquid Mixtures: Theory and Experiment

(2010) João Carlos R. Reis et al.   CHEMPHYSCHEM

Densities, Viscosities, Sound Speeds, Refractive Indices, and Excess Properties of Binary Mixtures of Isoamyl Alcohol with Some Alkoxyethanols

(2010) Mahendra Nath Roy et al.   INTERNATIONAL JOURNAL OF THERMOPHYSICS

A comparative Molecular Dynamics study of water–methanol and acetone–methanol mixtures

(2010) Aurélien Perera et al.   JOURNAL OF MOLECULAR LIQUIDS

Dielectric and conformal studies of 1-propanol and 1-butanol in methanol

(2010) Baliram Lone et al.   JOURNAL OF MOLECULAR MODELING

Experimental and the Theoretical Studies of the Dielectric Properties of DMSO–H2O Mixtures

(2010) Xiao-Qing Yang et al.   JOURNAL OF SOLUTION CHEMISTRY

Separation and preconcentration by a cloud point extraction procedure for determination of metals: an overview

(2009) C. Bosch Ojeda et al.   ANALYTICAL AND BIOANALYTICAL CHEMISTRY

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

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

GROMACS 4:  Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation

(2008) Berk Hess et al.   Journal of Chemical Theory and Computation

Force spectroscopy of polymers: Studying on intramolecular and intermolecular interactions in single molecular level

(2008) Xi Zhang et al.   POLYMER