Related references
Note: Only part of the references are listed.Quantitative structure-activity relationships for reactivities of sulfate and hydroxyl radicals with aromatic contaminants through single-electron transfer pathway
Shuang Luo et al.
JOURNAL OF HAZARDOUS MATERIALS (2018)
UV direct photolysis of sulfamethoxazole and ibuprofen: An experimental and modelling study
Shuang Luo et al.
JOURNAL OF HAZARDOUS MATERIALS (2018)
Kinetic and mechanistic aspects of hydroxyl radical-mediated degradation of naproxen and reaction intermediates
Shuang Luo et al.
WATER RESEARCH (2018)
Chemical structure-based predictive model for the oxidation of trace organic contaminants by sulfate radical
Tiantian Ye et al.
WATER RESEARCH (2017)
Mechanistic insight into reactivity of sulfate radical with aromatic contaminants through single-electron transfer pathway
Shuang Luo et al.
CHEMICAL ENGINEERING JOURNAL (2017)
A novel model to predict gas phase hydroxyl radical oxidation kinetics of' polychlorinated compounds
Shuang Luo et al.
CHEMOSPHERE (2017)
Predictability of physicochemical properties of polychlorinated dibenzo-p-dioxins (PCDDs) based on single-molecular descriptor models
Minhee Kim et al.
ENVIRONMENTAL POLLUTION (2016)
Rate constants of hydroxyl radical oxidation of polychlorinated biphenyls in the gas phase: A single-descriptor based QSAR and DFT study
Zhihui Yang et al.
ENVIRONMENTAL POLLUTION (2016)
Developing a Modern Approach To Account for Steric Effects in Hammett-Type Correlations
Celine B. Santiago et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2016)
Oxidative Degradation of Decabromodiphenyl Ether (BDE 209) by Potassium Permanganate: Reaction Pathways, Kinetics, and Mechanisms Assisted by Density Functional Theory Calculations
Jiaqi Shi et al.
ENVIRONMENTAL SCIENCE & TECHNOLOGY (2015)
Quantitative Structure-Activity Relationship (QSAR) for the Oxidation of Trace Organic Contaminants by Sulfate Radical
Ruiyang Xiao et al.
ENVIRONMENTAL SCIENCE & TECHNOLOGY (2015)
Employment of quantum chemical descriptors for Hammett constants: Revision Suggested for the acetoxy substituent
Tamara Papp et al.
CHEMICAL PHYSICS LETTERS (2013)
QSAR models for oxidation of organic micropollutants in water based on ozone and hydroxyl radical rate constants and their chemical classification
Sairam Sudhakaran et al.
WATER RESEARCH (2013)
QSPR models of n-octanol/water partition coefficients and aqueous solubility of halogenated methyl-phenyl ethers by DFT method
Xiao-Lan Zeng et al.
CHEMOSPHERE (2012)
Investigation on Intramolecular Hydrogen Bond and Some Thermodynamic Properties of Polyhydroxylated Anthraquinones
Ruijuan Qu et al.
JOURNAL OF CHEMICAL AND ENGINEERING DATA (2012)
Quantitative structure-activity relationships (QSARs) for the transformation of organic micropollutants during oxidative water treatment
Yunho Lee et al.
WATER RESEARCH (2012)
Best Practices for QSAR Model Development, Validation, and Exploitation
Alexander Tropsha
MOLECULAR INFORMATICS (2010)
Prediction of rate constants for radical degradation of aromatic pollutants in water matrix: A QSAR study
Hrvoje Kusic et al.
CHEMOSPHERE (2009)
Derivation of distributed models of atomic polarizability for molecular Simulations
Ignacio Soteras et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2007)
QSPR study on the aqueous solubility (-IgSw) and n-Octanol/water partition coefficients (IgKow) of polychlorinated dibenzo-p-dioxins (PCDDs)
Guo-Ying Yang et al.
QSAR & COMBINATORIAL SCIENCE (2007)
Advances in methods and algorithms in a modern quantum chemistry program package
Yihan Shao et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2006)
Linear free energy relationships on rate constants for the gas-phase reactions of hydroxyl radicals with PAHs and PCDD/Fs
CL Yan et al.
CHEMOSPHERE (2005)
On the role of polarizability in QSAR
RP Verma et al.
BIOORGANIC & MEDICINAL CHEMISTRY (2005)
Small basis sets for calculations of barrier heights, energies of reaction, electron affinities, geometries, and dipole moments
BJ Lynch et al.
THEORETICAL CHEMISTRY ACCOUNTS (2004)
Structure-property relationships and momentum space quantities:: Hammett σ-constants
L Amat et al.
MOLECULAR PHYSICS (2003)
Quantitative structure-activity relationships for oxidation reactions of organic chemicals in water
S Canonica et al.
ENVIRONMENTAL TOXICOLOGY AND CHEMISTRY (2003)
Use of QSARs in international decision-making frameworks to predict health effects of chemical substances
MTD Cronin et al.
ENVIRONMENTAL HEALTH PERSPECTIVES (2003)
Fragment molecular orbital method: use of approximate electrostatic potential
T Nakano et al.
CHEMICAL PHYSICS LETTERS (2002)
Understanding the congener-specific toxicity in polychlorinated dibenzo-p-dioxins:: Chlorination pattern and molecular quadrupole moment
BJ Mhin et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2002)
Comparison of quantum chemical parameters and Hammett constants in correlating pKa values of substituted anilines
KC Gross et al.
JOURNAL OF ORGANIC CHEMISTRY (2001)
Molecular clusters of π-systems:: Theoretical studies of structures, spectra, and origin of interaction energies
KS Kim et al.
CHEMICAL REVIEWS (2000)
Share Paper
