Molecular dynamics simulation of the distribution of potassium perfluorooctanesulfonate in water

Independent gradient model based on Hirshfeld partition: A new method for visual study of interactions in chemical systems

(2022) Tian Lu et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Molecular dynamics simulation of CO2 hydrate growth in salt water

(2022) Xianwu Jing et al.   JOURNAL OF MOLECULAR LIQUIDS

Hydraulic fracture to enhance coalbed methane recovery by using coated ceramsite

(2022) Mingjun Zou et al.   Greenhouse Gases-Science and Technology

The History of Surfactants and Review of Their Allergic and Irritant Properties

(2021) Colby L. Presley et al.   Dermatitis

Synergistic Effect of Sodium p-Perfluorononenyloxybenzenesulfonate and Alkanolamide Compounding System Used as Cleanup Additive in Hydraulic Fracturing

(2020) Lipei Fu et al.   ENERGY & FUELS

The ORCA quantum chemistry program package

(2020) Frank Neese et al.   JOURNAL OF CHEMICAL PHYSICS

Evaluation of a novel morpholine-typed Gemini surfactant as the collector for the reverse flotation separation of halite from carnallite ore

(2020) Zhiqiang Huang et al.   JOURNAL OF MOLECULAR LIQUIDS

Surfactant selection criteria with flowback efficiency and oil recovery considered

(2020) Nur Wijaya et al.   JOURNAL OF PETROLEUM SCIENCE AND ENGINEERING

Synthesis of novel oil-soluble fluorinated surfactants via Wittig-Horner reaction

(2019) Ding Zhang et al.   TETRAHEDRON

A review of the current status of induced seismicity monitoring for hydraulic fracturing in unconventional tight oil and gas reservoirs

(2019) Lei Li et al.   FUEL

Thermoresponsive in Situ Generated Proppant Based on Liquid–Solid Transition of a Supramolecular Self-Propping Fracturing Fluid

(2019) Zhifeng Luo et al.   ENERGY & FUELS

Experimental study on the use of surfactant as a fracking fluid additive for improving shale gas productivity

(2019) Osman SalahEldin Hussien et al.   JOURNAL OF PETROLEUM SCIENCE AND ENGINEERING

The Independent Gradient Model: A New Approach for Probing Strong and Weak Interactions in Molecules from Wave Function Calculations

(2018) Corentin Lefebvre et al.   CHEMPHYSCHEM

Synthesis, chemistry, physicochemical properties and industrial applications of amino acid surfactants: A review

(2018) Divya B. Tripathy et al.   COMPTES RENDUS CHIMIE

B97-3c: A revised low-cost variant of the B97-D density functional method

(2018) Jan Gerit Brandenburg et al.   JOURNAL OF CHEMICAL PHYSICS

Synthesis and surface active properties of novel anionic surfactants with two short fluoroalkyl groups

(2018) Eun-kyung Kang et al.   JOURNAL OF INDUSTRIAL AND ENGINEERING CHEMISTRY

The effect of N-ethyl-N-hydroxyethyl perfluorooctanoamide on wettability alteration of shale reservoir

(2018) Yongfei Li et al.   Scientific Reports

Molecular Dynamics Simulation for All

(2018) Scott A. Hollingsworth et al.   NEURON

Flow physics of how surfactants can reduce water blocking caused by hydraulic fracturing in low permeability reservoirs

(2017) Tianbo Liang et al.   JOURNAL OF PETROLEUM SCIENCE AND ENGINEERING

Accurately extracting the signature of intermolecular interactions present in the NCI plot of the reduced density gradient versus electron density

(2017) Corentin Lefebvre et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Accuracy limit of rigid 3-point water models

(2016) Saeed Izadi et al.   JOURNAL OF CHEMICAL PHYSICS

Molecular dynamics simulations on tetraalkylammonium interactions with dodecyl sulfate micelles at the air/water interface

(2016) Guokui Liu et al.   JOURNAL OF MOLECULAR LIQUIDS

Understanding the Structure of Hydrophobic Surfactants at the Air/Water Interface from Molecular Level

(2014) Li Zhang et al.   LANGMUIR

Facile preparation of magnetic separable powdered-activated-carbon/Ni adsorbent and its application in removal of perfluorooctane sulfonate (PFOS) from aqueous solution

(2013) Xuanqi Liang et al.   JOURNAL OF ENVIRONMENTAL SCIENCE AND HEALTH PART A-TOXIC/HAZARDOUS SUBSTANCES & ENVIRONMENTAL ENGINEERING

Cationic Polythiophene–Surfactant Self-Assembly Complexes: Phase Transitions, Optical Response, and Sensing

(2012) Rachel C. Evans et al.   LANGMUIR

Multiwfn: A multifunctional wavefunction analyzer

(2011) Tian Lu et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

The ORCA program system

(2011) Frank Neese   Wiley Interdisciplinary Reviews-Computational Molecular Science

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

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