Forest, Kaya: шукати на сайті Z-Library

Flavour and Fragrance Journal

Журнал:

Рік:

2016

Мова:

english

Файл:

PDF, 220 KB

english, 2016

A G4MP2 and G4 Theoretical Study into the Thermochemical Properties of Explosophore Substituted Tetrahedranes and Cubanes

Propellants, Explosives, Pyrotechnics

Журнал:

Рік:

2011

Мова:

english

Файл:

PDF, 175 KB

english, 2011

Estimated Gas-Phase Standard State Enthalpies of Formation for Organic Compounds Using the Gaussian-4 (G4) and W1BD Theoretical Methods

Journal of Chemical & Engineering Data

Журнал:

Рік:

2010

Мова:

english

Файл:

PDF, 75 KB

english, 2010

pH dependent partitioning behaviour of food and beverage aroma compounds between air-aqueous and organic-aqueous matrices

Flavour and Fragrance Journal

Журнал:

Рік:

2016

Мова:

english

Файл:

PDF, 265 KB

english, 2016

Time Trends for Agricultural Crop Production in Saskatchewan, Canada: 1905-2011

Журнал:

Рік:

2011

Мова:

english

Файл:

PDF, 1.16 MB

english, 2011

Estimated Adiabatic Ionization Energies for Organic Compounds Using the Gaussian-4 (G4) and W1BD Theoretical Methods

Journal of Chemical & Engineering Data

Журнал:

Рік:

2011

Мова:

english

Файл:

PDF, 93 KB

english, 2011

Perfluoroalkyl sulfonic and carboxylic acids: A critical review of physicochemical properties, levels and patterns in waters and wastewaters, and treatment methods

Журнал:

Rayne, Sierra, Rayne, Sierra, Forest, Kaya

Рік:

2009

Мова:

english

Файл:

PDF, 2.55 MB

english, 2009

Accuracy of computational solvation free energies for neutral and ionic compounds: Dependence on level of theory and solvent model

Журнал:

Рік:

2010

Мова:

english

Файл:

PDF, 134 KB

english, 2010

Quantitative structure-activity relationship (QSAR) studies for predicting activation of the ryanodine receptor type 1 channel complex (RyR1) by polychlorinated biphenyl (PCB) congeners

Журнал:

Rayne, Sierra, Rayne, Sierra, Forest, Kaya

Рік:

2010

Мова:

english

Файл:

PDF, 323 KB

english, 2010

Correlations between experimental and theoretical adiabatic ionization energies for organic compounds and rate constants for atmospheric reactions with hydroxyl radicals

Журнал:

Рік:

2010

Мова:

english

Файл:

PDF, 187 KB

english, 2010

Theoretical studies on the pK~a~ values of perfluoroalkyl carboxylic acids

Журнал:

Рік:

2010

Мова:

english

Файл:

PDF, 5.58 MB

english, 2010

Computational note on a G4 theoretical study of the small-ring geminanes tricyclo[3.1.1.01,4]heptane, tetracyclo[3.1.1.12,4.01,5]octane, and tetracyclo[3.2.12,4.02,5]nonane

Журнал:

Sierra Rayne, Kaya Forest, Ken J. Friesen

Рік:

2011

Мова:

english

Файл:

PDF, 158 KB

english, 2011

Relative gas-phase free energies for the C3 through C8 linear and branched perfluorinated sulfonic acids: Implications for kinetic versus thermodynamic control during synthesis of technical mixtures and predicting congener profile inputs to environmental systems

Журнал:

Рік:

2008

Мова:

english

Файл:

PDF, 121 KB

english, 2008

Computational note on a G4MP2 study into the gas phase enthalpies of formation and isomerization for the (n = 1–6) isomers

Журнал:

Рік:

2010

Мова:

english

Файл:

PDF, 121 KB

english, 2010

Gas phase isomerization enthalpies of organic compounds: A semiempirical, density functional theory, and ab initio post-Hartree–Fock theoretical study

Журнал:

Рік:

2010

Мова:

english

Файл:

PDF, 272 KB

english, 2010

Theoretical studies on the pKa values of perfluoroalkyl carboxylic acids

Журнал:

Рік:

2010

Мова:

english

Файл:

PDF, 326 KB

english, 2010

Performance of Gaussian-3 and Gaussian-4 level theoretical methods in estimating gas phase enthalpies of formation for representative and chlorofluorocarbons and hydrochlorofluorocarbons

Журнал:

Medicinal Chemistry Research

Рік:

2010

Мова:

english

Файл:

PDF, 143 KB

english, 2010

Quantitative structure–activity relationships for estimating the aryl hydrocarbon receptor binding affinities of resveratrol derivatives and the antioxidant activities of hydroxystilbenes

Sierra Rayne, Charles D. Goss, Kaya Forest, Ken J. Friesen

Журнал:

Рік:

2010

Мова:

english

Файл:

PDF, 580 KB

english, 2010

Gas-phase enthalpies of formation, acidities, and strain energies of the [m,n]polyprismanes (m

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Журнал:

Рік:

2010

Мова:

english

Файл:

PDF, 538 KB

english, 2010

Analytical Framework for a Risk-based Estimation of Climate Change Effects on Mine Site Runoff Water Quality

Sierra Rayne, Kaya Forest, Ken J. Friesen

Журнал:

Mine Water and the Environment

Рік:

2009

Мова:

english

Файл:

PDF, 382 KB

english, 2009

Theoretical study of substituent and solvent effects on the thermodynamics forcis/transisomerization and intramolecular rearrangements of 2,2′-diphenoquinones

Water Resources Management

Журнал:

Structural Chemistry

Рік:

2011

Мова:

english

Файл:

PDF, 283 KB

english, 2011

Riparian Forest Harvesting Effects on Maximum Water Temperatures in Wetland-sourced Headwater Streams from the Nicola River Watershed, British Columbia, Canada

Sierra Rayne, Gregory Henderson, Paramjit Gill, Kaya Forest

Журнал:

Рік:

2008

Мова:

english

Файл:

PDF, 238 KB

english, 2008

Comparative semiempirical, ab initio, and density functional theory study on the thermodynamic properties of linear and branched perfluoroalkyl sulfonic acids/sulfonyl fluorides, perfluoroalkyl carboxylic acid/acyl fluorides, and perhydroalkyl sulfonic acids, alkanes, and alcohols

Журнал:

Рік:

2010

Мова:

english

Файл:

PDF, 594 KB

english, 2010

Gas phase acidities and associated equilibrium isotope effects for selected main group mono- and polyhydrides, carbon acids, and oxyacids: A G4 and W1BD study

Журнал:

Рік:

2010

Мова:

english

Файл:

PDF, 282 KB

english, 2010

Comment on “Ab initio study of the structural, electronic, and thermodynamic properties of linear perfluorooctane sulfonate (PFOS) and its branched isomers” by F.J. Torres, V. Ochoa-Herrera, P. Blowers, R. Sierra-Alvarez [Chemosphere 76 (8) (2009) 1143–1149]

Журнал:

Chemosphere

Рік:

2009

Мова:

english

Файл:

PDF, 125 KB

english, 2009

Thermochemistry of mono- and disubstituted acetylenes and polyynes at the Gaussian-4 level of theory

Журнал:

Рік:

2011

Мова:

english

Файл:

PDF, 285 KB

english, 2011

Theoretical study of tetracyclo[3.3.3.13,10.17,10]tridecane (bowlane) and its methylene spacer edge and lip expanded (−CH2−)n(n = 1–4) homologs

Журнал:

Рік:

2011

Мова:

english

Файл:

PDF, 295 KB

english, 2011

Survey of main group compounds (HBr) at the Gaussian-4 level of theory: Adiabatic ionization energies and enthalpies of formation

Журнал:

Рік:

2011

Мова:

english

Файл:

PDF, 375 KB

english, 2011

Singlet–triplet (S0 → T1) excitation energies of the [4 × n] rectangular graphene nanoribbon series (n = 2–6): A comparative theoretical study

Журнал:

Рік:

2011

Мова:

english

Файл:

PDF, 323 KB

english, 2011

A comparison of density functional theory (DFT) methods for estimating the singlet–triplet (S0–T1) excitation energies of benzene and polyacenes

Журнал:

Рік:

2011

Мова:

english

Файл:

PDF, 416 KB

english, 2011

Isomerization energies of tetrahedranes to 1,3-cyclobutadienes: A challenge for theoretical methods

Журнал:

Рік:

2012

Мова:

english

Файл:

PDF, 276 KB

english, 2012

Singlet–triplet excitation energies of naphthyl cations: High level composite method calculations suggest a singlet ground state

Журнал:

Sierra Rayne, Kaya Forest, Ken J. Friesen

Рік:

2012

Мова:

english

Файл:

PDF, 260 KB

english, 2012

Mechanistic aspects regarding the direct aqueous environmental photochemistry of phenol and its simple halogenated derivatives. A review

Журнал:

Environment International

Рік:

2009

Мова:

english

Файл:

PDF, 827 KB

english, 2009

Comment on “Assessment of chemical screening outcomes based on different partitioning property estimation methods”

Environment International

Журнал:

Рік:

2011

Мова:

english

Файл:

PDF, 314 KB

english, 2011

Comment on “Important role of reaction field in photodegradation of deca-bromodiphenyl ether: Theoretical and experimental investigations of solvent effects” by Q. Xie, J. Chen, J. Shao, C. Chen, H. Zhao, C. Hao [Chemosphere 76(11) (2009) 1486–1490]

Rayne, Sierra, Rayne, Sierra, Forest, Kaya

Журнал:

Chemosphere

Рік:

2010

Мова:

english

Файл:

PDF, 190 KB

english, 2010

Comparative study on the gas to solution phase solvation free energies of model combustion flue gas compounds (N2, O2, CO2, H2O, SO2, and CO) in 178 organic solvents using the IEFPCM-UFF, CPCM, and SMD implicit solvent models at the Gaussian-4 (G4) level of theory

Журнал:

Rayne, Sierra, Carey, Sheila, Forest, Kaya

Рік:

2010

Мова:

english

Файл:

PDF, 448 KB

english, 2010

Evidence for Tin Inhibition of Enhanced Biological Phosphorus Removal at a Municipal Wastewater Treatment Plant

Журнал:

Рік:

2005

Мова:

english

Файл:

PDF, 389 KB

english, 2005

Reply to Comments by O. V. Dorofeeva on J. Chem. Eng. Data 2010 , 55 , 5359−5364

Journal of Chemical & Engineering Data

Журнал:

Рік:

2011

Мова:

english

Файл:

PDF, 657 KB

english, 2011

A G4MP2 and G4 theoretical study on reactions occurring during the ozonation of bromide containing waters

Журнал:

Рік:

2014

Мова:

english

Файл:

PDF, 901 KB

english, 2014

Modeling the hydrolysis of perfluorinated compounds containing carboxylic and phosphoric acid ester functions and sulfonamide groups

Журнал:

Forest, Kaya, Rayne, Sierra

Рік:

2010

Мова:

english

Файл:

PDF, 838 KB

english, 2010

Incorporating Primary Literature Summary Projects into a First-Year Chemistry Curriculum

Журнал:

Journal of Chemical Education

Рік:

2009

Мова:

english

Файл:

PDF, 201 KB

english, 2009

Comment on “Linear and Branched Perfluorooctane Sulfonate Isomers in Technical Product and Environmental Samples by In-Port Derivatization-Gas Chromatography-Mass Spectrometry”

Журнал:

Analytical Chemistry

Рік:

2009

Мова:

english

Файл:

PDF, 36 KB

english, 2009

Comment on “Photodegradation Pathways of Nonabrominated Diphenyl Ethers, 2-Ethylhexyltetrabromobenzoate and Di(2-ethylhexyl)tetrabromophthalate: Identifying Potential Markers of Photodegradation”

Environmental Science & Technology

Журнал:

Рік:

2009

Мова:

english

Файл:

PDF, 44 KB

english, 2009

Thinking Outside the Classroom: Integrating Field Trips into a First-Year Undergraduate Chemistry Curriculum

Forest, Kaya, Rayne, Sierra

Журнал:

Journal of Chemical Education

Рік:

2009

Мова:

english

Файл:

PDF, 516 KB

english, 2009

pK a values of the monohydroxylated polychlorinated biphenyls (OH-PCBs), polybrominated biphenyls (OH-PBBs), polychlorinated diphenyl ethers (OH-PCDEs), and polybrominated diphenyl ethers (OH-PBDEs)

Журнал:

Rayne, Sierra, Forest, Kaya, Friesen, Ken J.

Рік:

2010

Мова:

english

Файл:

PDF, 628 KB

english, 2010

Linear free energy relationship based estimates for the congener specific relative reductive defluorination rates of perfluorinated alkyl compounds

Журнал:

Forest, Kaya, Wan, Peter, Preston, Caroline M.

Рік:

2009

Мова:

english

Файл:

PDF, 1.00 MB

english, 2009

Catechin and hydroxybenzhydrols as models for the environmental photochemistry of tannins and lignins

Журнал:

Photochemical & Photobiological Sciences

Рік:

2004

Мова:

english

Файл:

PDF, 250 KB

english, 2004

A new class of perfluorinated acid contaminants: Primary and secondary substituted perfluoroalkyl sulfonamides are acidic at environmentally and toxicologically relevant pH values

Журнал:

Rayne, Sierra, Forest, Kaya, Friesen, Ken J.

Рік:

2009

Мова:

english

Файл:

PDF, 1.58 MB

english, 2009

Congener-specific numbering systems for the environmentally relevant C 4 through C 8 perfluorinated homologue groups of alkyl sulfonates, carboxylates, telomer alcohols, olefins, and acids, and their derivatives

Журнал: