QUANTITATIVE STRUCTURE–PROPERTY RELATIONSHIPS FOR PREDICTION OF BOILING POINT, VAPOR PRESSURE, AND MELTING POINT

John C. Dearden

doi:10.1897/01-363

QUANTITATIVE STRUCTURE–PROPERTY RELATIONSHIPS FOR PREDICTION OF BOILING POINT, VAPOR PRESSURE, AND MELTING POINT

Environmental Toxicology and Chemistry ◽

10.1897/01-363 ◽

2003 ◽

Vol 22 (8) ◽

pp. 1696 ◽

Cited By ~ 73

Author(s):

John C. Dearden

Keyword(s):

Melting Point ◽

Vapor Pressure ◽

Boiling Point ◽

Quantitative Structure ◽

Structure Property ◽

Structure Property Relationships ◽

Quantitative Structure Property Relationships

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Quantitative Structure−Property Relationships (QSPRs) for the Estimation of Vapor Pressure: A Hierarchical Approach Using Mathematical Structural Descriptors

Journal of Chemical Information and Computer Sciences ◽

10.1021/ci000165r ◽

2001 ◽

Vol 41 (3) ◽

pp. 692-701 ◽

Cited By ~ 30

Author(s):

Subhash C. Basak ◽

Denise Mills

Keyword(s):

Vapor Pressure ◽

Quantitative Structure ◽

Hierarchical Approach ◽

Structure Property ◽

Structural Descriptors ◽

Structure Property Relationships ◽

Quantitative Structure Property Relationships

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Quantitative Structure−Property Relationships for the Estimation of Boiling Point and Flash Point Using a Radial Basis Function Neural Network

Journal of Chemical Information and Computer Sciences ◽

10.1021/ci980026y ◽

1999 ◽

Vol 39 (3) ◽

pp. 491-507 ◽

Cited By ~ 55

Author(s):

John Tetteh ◽

Takahiro Suzuki ◽

Ed Metcalfe ◽

Sian Howells

Keyword(s):

Neural Network ◽

Radial Basis Function ◽

Basis Function ◽

Boiling Point ◽

Flash Point ◽

Quantitative Structure ◽

Structure Property ◽

Structure Property Relationships ◽

Radial Basis ◽

Quantitative Structure Property Relationships

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Quantitative Structure-Property Relationships for Vapor Pressure of PCDD/Fs

Bulletin of Environmental Contamination and Toxicology ◽

10.1007/s00128-001-0001-6 ◽

2001 ◽

Vol 66 (3) ◽

pp. 277-282 ◽

Cited By ~ 3

Author(s):

J. W. Chen ◽

X. Quan ◽

Y. Yan ◽

Y. Z. Zhao ◽

F. L. Yang

Keyword(s):

Vapor Pressure ◽

Quantitative Structure ◽

Structure Property ◽

Structure Property Relationships ◽

Quantitative Structure Property Relationships

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Quantitative structure–property relationships for predicting subcooled liquid vapor pressure (PL) of 209 polychlorinated diphenyl ethers (PCDEs) by DFT and the position of Cl substitution (PCS) methods

Atmospheric Environment ◽

10.1016/j.atmosenv.2006.12.039 ◽

2007 ◽

Vol 41 (17) ◽

pp. 3590-3603 ◽

Cited By ~ 20

Author(s):

Xiaolan Zeng ◽

Zunyao Wang ◽

Zhigang Ge ◽

Hongxia Liu

Keyword(s):

Vapor Pressure ◽

Quantitative Structure ◽

Structure Property ◽

Subcooled Liquid ◽

Structure Property Relationships ◽

Diphenyl Ethers ◽

Quantitative Structure Property Relationships ◽

Polychlorinated Diphenyl Ethers ◽

Liquid Vapor

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Quantitative Structure-Property Relationships for Aqueous Solubilities of Halogenated Aromatic Compounds: Melting Point Temperatures of Polychloronaphthalenes and Polychlorophenanthrenes

Physics and Chemistry of Liquids ◽

10.1080/00319109508028420 ◽

1995 ◽

Vol 29 (3) ◽

pp. 145-149 ◽

Cited By ~ 2

Author(s):

William E. Acree ◽

Joyce R. Powell ◽

Diana Voisinet ◽

Andres Salazar

Keyword(s):

Melting Point ◽

Aromatic Compounds ◽

Quantitative Structure ◽

Structure Property ◽

Structure Property Relationships ◽

Quantitative Structure Property Relationships ◽

Aqueous Solubilities ◽

Halogenated Aromatic Compounds

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Development of quantitative structure property relationships for predicting the melting point of energetic materials

Journal of Molecular Graphics and Modelling ◽

10.1016/j.jmgm.2015.09.017 ◽

2015 ◽

Vol 62 ◽

pp. 190-201 ◽

Cited By ~ 2

Author(s):

Jason A. Morrill ◽

Edward F.C. Byrd

Keyword(s):

Melting Point ◽

Energetic Materials ◽

Quantitative Structure ◽

Structure Property ◽

Structure Property Relationships ◽

Quantitative Structure Property Relationships

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Quantitative Structure–Property Relationships for Vapor Pressure of PCDD/Fs

Bulletin of Environmental Contamination and Toxicology ◽

10.1007/s001280001 ◽

2001 ◽

Vol 66 (3) ◽

pp. 277-282 ◽

Cited By ~ 1

Author(s):

J. W. Chen ◽

X. Quan ◽

Y. Yan ◽

Y. Z. Zhao ◽

F. L. Yang

Keyword(s):

Vapor Pressure ◽

Quantitative Structure ◽

Structure Property ◽

Structure Property Relationships ◽

Quantitative Structure Property Relationships

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Advances in Quantitative Structure–Property Relationships Volume 3

European Journal of Medicinal Chemistry ◽

10.1016/s0223-5234(03)00120-x ◽

2003 ◽

Vol 38 (7-8) ◽

pp. 787

Keyword(s):

Quantitative Structure ◽

Structure Property ◽

Structure Property Relationships ◽

Quantitative Structure Property Relationships

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Quantitative Structure-Property Relationships in Solvent Extraction and Complexation of Metals

Ion Exchange and Solvent Extraction Series - Ion Exchange and Solvent Extraction ◽

10.1201/9781420059700-c5 ◽

2009 ◽

pp. 319-358 ◽

Cited By ~ 11

Author(s):

Alexandre Varnek ◽

Vitaly Solov‚Äôev

Keyword(s):

Solvent Extraction ◽

Quantitative Structure ◽

Structure Property ◽

Structure Property Relationships ◽

Quantitative Structure Property Relationships

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Prediction of Surface Tension, Viscosity, and Thermal Conductivity for Common Organic Solvents Using Quantitative Structure−Property Relationships

Journal of Chemical Information and Computer Sciences ◽

10.1021/ci000139t ◽

2001 ◽

Vol 41 (2) ◽

pp. 408-418 ◽

Cited By ~ 68

Author(s):

Gregory W. Kauffman ◽

Peter C. Jurs

Keyword(s):

Thermal Conductivity ◽

Surface Tension ◽

Organic Solvents ◽

Quantitative Structure ◽

Structure Property ◽

Structure Property Relationships ◽

Quantitative Structure Property Relationships

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