Screening of different computational models for the preparation of sol–gel imprinted materials

Communication: Avoiding unbound anions in density functional calculations

(2011) Min-Cheol Kim et al.   JOURNAL OF CHEMICAL PHYSICS

Molecular Dynamics Simulations of Pregelification Mixtures for the Production of Imprinted Xerogels

(2011) Manuel Azenha et al.   LANGMUIR

Computational investigation and synthesis of a sol–gel imprinted material for sensing application of some biologically active molecules

(2010) Nada F. Atta et al.   ANALYTICA CHIMICA ACTA

Development of a model for the rational design of molecular imprinted polymer: Computational approach for combined molecular dynamics/quantum mechanics calculations

(2009) Cunku Dong et al.   ANALYTICA CHIMICA ACTA

Computer aided-molecular design and synthesis of a high selective molecularly imprinted polymer for solid-phase extraction of furosemide from human plasma

(2009) Mohammad Bagher Gholivand et al.   ANALYTICA CHIMICA ACTA

A computational investigation of the interactions between harmane and the functional monomers commonly used in molecular imprinting

(2009) Agnieszka Kowalska et al.   JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM

Molecularly imprinted polymers as affinity-based separation media for sample preparation

(2009) Jun Haginaka   JOURNAL OF SEPARATION SCIENCE

Experimental and Computational Studies on Non-Covalent Imprinted Microspheres as Recognition System for Nicotinamide Molecules

(2009) Roberta Del Sole et al.   MOLECULES

Computational design and synthesis of molecular imprinted polymers with high selectivity for removal of aniline from contaminated water

(2008) Junhai Yao et al.   ANALYTICA CHIMICA ACTA

The requisite level of theory for the computational design of molecularly imprinted silica xerogels

(2008) Manuel Azenha et al.   BIOSENSORS & BIOELECTRONICS

Molecular Recognition and Catalysis by Molecularly Imprinted Polymer Catalysts: Thermodynamic and Kinetic Surveys on the Specific Behaviors

(2008) Kejun Tong et al.   Journal of Inorganic and Organometallic Polymers and Materials

Amazing Pores: Processing, Morphology and Functional States of Molecularly Imprinted Polymers as Sensor Materials

(2008) Joseph J. BelBruno et al.   MOLECULAR CRYSTALS AND LIQUID CRYSTALS

Application of molecular dynamics modeling for the prediction of selective adsorption properties of dimethoate imprinting polymer

(2008) Yongqin Lv et al.   SENSORS AND ACTUATORS B-CHEMICAL