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  1. Bulletin of Environmental Contamination and Toxicology
  2. Bulletin of Environmental Contamination and Toxicology : Volume 84
  3. Bulletin of Environmental Contamination and Toxicology : Volume 84, Issue 2, February 2010
  4. Ab Initio Theoretical Study of the Interactions Between CFCl3 and SO2
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Bulletin of Environmental Contamination and Toxicology : Volume 97
Bulletin of Environmental Contamination and Toxicology : Volume 96
Bulletin of Environmental Contamination and Toxicology : Volume 95
Bulletin of Environmental Contamination and Toxicology : Volume 94
Bulletin of Environmental Contamination and Toxicology : Volume 93
Bulletin of Environmental Contamination and Toxicology : Volume 92
Bulletin of Environmental Contamination and Toxicology : Volume 91
Bulletin of Environmental Contamination and Toxicology : Volume 90
Bulletin of Environmental Contamination and Toxicology : Volume 89
Bulletin of Environmental Contamination and Toxicology : Volume 88
Bulletin of Environmental Contamination and Toxicology : Volume 87
Bulletin of Environmental Contamination and Toxicology : Volume 86
Bulletin of Environmental Contamination and Toxicology : Volume 85
Bulletin of Environmental Contamination and Toxicology : Volume 84
Bulletin of Environmental Contamination and Toxicology : Volume 84, Issue 6, June 2010
Bulletin of Environmental Contamination and Toxicology : Volume 84, Issue 5, May 2010
Bulletin of Environmental Contamination and Toxicology : Volume 84, Issue 4, April 2010
Bulletin of Environmental Contamination and Toxicology : Volume 84, Issue 3, March 2010
Bulletin of Environmental Contamination and Toxicology : Volume 84, Issue 2, February 2010
Cardioinhibitory Properties of Potato Glycoalkaloids in Beetles
Effect of (C6H5)3PbCl and (C6H5)3SnCl on Delayed Luminescence Intensity, Evolving Oxygen and Electron Transport Rate in Photosystem II of Chlorella vulgaris
Alleviation Effect of Alginate-Derived Oligosaccharides on Vicia faba Root Tip Cells Damaged by Cadmium
Detection of Estrogenic Activity from Kraft Mill Effluents by the Yeast Estrogen Screen
Ab Initio Theoretical Study of the Interactions Between CFCl3 and SO2
Volatile Organic Compounds in a Residential and Commercial Urban Area with a Diesel, Compressed Natural Gas and Oxygenated Gasoline Vehicular Fleet
Comparative Study of Automotive, Aircraft and Biogenic Emissions of Aldehydes and Aromatic Compounds
Concentrations and Source Assessment of Some Atmospheric Trace Elements in Northwestern Region of Tehran, Iran
Flame Atomic Absorption Spectrometric Determination of Pb, Cd, and Cu in Pinus nigra L. and Eriobotrya japonica Leaves Used as Biomonitors in Environmental Pollution
Lead and Cadmium Accumulation in Medicinal Plants Collected from Environmentally Different Sites
Effects of Temperature on the Stability of Microcystins in Muscle of Fish and Its Consequences for Food Safety
Tissue Distribution of Polybrominated Diphenyl Ethers (PBDEs) in Captive Domestic Pigs, Sus scrofa, from a Village Near an Electronic Waste Recycling Site in South China
Determination of Phthalates in Diet and Bedding for Experimental Animals Using Gas Chromatography-Mass Spectrometry
Effect of Household Processing on Fenazaquin Residues in Okra Fruits
Dissipation and Residues of Chlormequat in Wheat and Soil
Dissipation Kinetics of β-Cyfluthrin and Imidacloprid in Brinjal and Soil Under Subtropical Conditions of Punjab, India
Dissipation of Mefenoxam Residue in Watermelon and Soil Under Field Conditions
Determination of Oxadiargyl Residues in Environmental Samples and Rice Samples
Land Use Change and Nutrients Simulation for the Siah Darvishan Basin of the Anzali Wetland Region, Iran
Research on Florfenicol Residue in Coastal Area of Dalian (Northern China) and Analysis of Functional Diversity of the Microbial Community in Marine Sediment
Stability of Multi-Permeable Reactive Barriers for Long Term Removal of Mixed Contaminants
Comparison of the Ability of Organic Acids and EDTA to Enhance the Phytoextraction of Metals from a Multi-Metal Contaminated Soil
Vertical Distribution of Polybrominated Diphenyl Ethers (PBDEs) in Soil Cores Taken from a Typical Electronic Waste Polluted Area in South China
Sorption and Desorption of Fipronil in Midwestern Soils
Bulletin of Environmental Contamination and Toxicology : Volume 84, Issue 1, January 2010
Bulletin of Environmental Contamination and Toxicology : Volume 83
Bulletin of Environmental Contamination and Toxicology : Volume 82
Bulletin of Environmental Contamination and Toxicology : Volume 81
Bulletin of Environmental Contamination and Toxicology : Volume 80
Bulletin of Environmental Contamination and Toxicology : Volume 79
Bulletin of Environmental Contamination and Toxicology : Volume 78
Bulletin of Environmental Contamination and Toxicology : Volume 77
Bulletin of Environmental Contamination and Toxicology : Volume 76
Bulletin of Environmental Contamination and Toxicology : Volume 75
Bulletin of Environmental Contamination and Toxicology : Volume 74
Bulletin of Environmental Contamination and Toxicology : Volume 73
Bulletin of Environmental Contamination and Toxicology : Volume 72
Bulletin of Environmental Contamination and Toxicology : Volume 71
Bulletin of Environmental Contamination and Toxicology : Volume 70
Bulletin of Environmental Contamination and Toxicology : Volume 69
Bulletin of Environmental Contamination and Toxicology : Volume 68
Bulletin of Environmental Contamination and Toxicology : Volume 67
Bulletin of Environmental Contamination and Toxicology : Volume 66
Bulletin of Environmental Contamination and Toxicology : Volume 65
Bulletin of Environmental Contamination and Toxicology : Volume 64
Bulletin of Environmental Contamination and Toxicology : Volume 63
Bulletin of Environmental Contamination and Toxicology : Volume 62
Bulletin of Environmental Contamination and Toxicology : Volume 61
Bulletin of Environmental Contamination and Toxicology : Volume 60
Bulletin of Environmental Contamination and Toxicology : Volume 59
Bulletin of Environmental Contamination and Toxicology : Volume 58

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Ab Initio Theoretical Study of the Interactions Between CFCl3 and SO2

Content Provider SpringerLink
Author Diao, Kai Sheng Wang, Fang Wang, Hai Jun
Copyright Year 2009
Abstract Ab initio calculations have been performed on complexes of CFCl3 with SO2. Ten complexes were found stable, the interaction energies that reflect their stability were corrected by the basis set superposition error and the correction of zero-point energy. The natures of these interactions were investigated by the analysis of natural bond orbital and the atoms in molecules. The results from theoretical calculation indicated that there were the interactions of Cl···O, F···O, Cl···S and F···S between CFCl3 and SO2, furthermore, the non-covalent bonds of Cl···O and Cl···S were the major interaction forces, which provided some data and information for studying the environment problem such as greenhouse effect relevant to CFCl3 and SO2.
Starting Page 170
Ending Page 174
Page Count 5
File Format PDF
ISSN 00074861
Journal Bulletin of Environmental Contamination and Toxicology
Volume Number 84
Issue Number 2
e-ISSN 14320800
Language English
Publisher Springer-Verlag
Publisher Date 2009-11-27
Publisher Place New York
Access Restriction One Nation One Subscription (ONOS)
Subject Keyword Trichlorofluoromethane Sulfur Dioxide Ab Initio calculations Waste Water Technology / Water Pollution Control / Water Management / Aquatic Pollution Environmental Chemistry Soil Science & Conservation Ecotoxicology Environmental Health Pollution
Content Type Text
Resource Type Article
Subject Health, Toxicology and Mutagenesis Pollution Medicine Toxicology
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