4.4 Article

Critical Evaluation of Thermodynamic Properties for Halobenzoic Acids Through Consistency Analyses for Results from Experiment and Computational Chemistry

Related references

Note: Only part of the references are listed.
Article Thermodynamics

Thermochemistry of halogenobenzoic acids as an access to PC-SAFT solubility modeling

Kseniya V. Zherikova et al.

FLUID PHASE EQUILIBRIA (2016)

Article Thermodynamics

Thermodynamic Properties of N-Methyl-Substituted Ethane-1,2-diamines: Experimental and Computational Study

Sergey P. Verevkin et al.

JOURNAL OF CHEMICAL AND ENGINEERING DATA (2016)

Article Chemistry, Medicinal

Benzoic Acid and Chlorobenzoic Acids: Thermodynamic Study of the Pure Compounds and Binary Mixtures With Water

Thomas Reschke et al.

JOURNAL OF PHARMACEUTICAL SCIENCES (2016)

Article Chemistry, Physical

Gas phase measurements of mono-fluoro-benzoic acids and the dimer of 3-fluoro-benzoic acid

Adam M. Daly et al.

JOURNAL OF CHEMICAL PHYSICS (2015)

Article Thermodynamics

Thermochemistry of Halogen-Substituted Methylbenzenes

Sergey P. Verevkin et al.

JOURNAL OF CHEMICAL AND ENGINEERING DATA (2015)

Article Thermodynamics

Vaporization enthalpies of a series of the fluoro- and chloro-substituted methylbenzenes

Sergey P. Verevkin et al.

FLUID PHASE EQUILIBRIA (2014)

Article Thermodynamics

Thermodynamic properties of 1-phenylnaphthalene and 2-phenylnaphthalene

Robert D. Chirico et al.

JOURNAL OF CHEMICAL THERMODYNAMICS (2014)

Article Thermodynamics

Vapour pressures of selected organic compounds down to 1 mPa, using mass-loss Knudsen effusion method

Jose M. S. Fonseca et al.

JOURNAL OF CHEMICAL THERMODYNAMICS (2014)

Article Chemistry, Physical

Thermochemistry of Dihalogen-Substituted Benzenes: Data Evaluation Using Experimental and Quantum Chemical Methods

Sergey P. Verevkin et al.

JOURNAL OF PHYSICAL CHEMISTRY B (2014)

Article Chemistry, Physical

An efficient and near linear scaling pair natural orbital based local coupled cluster method

Christoph Riplinger et al.

JOURNAL OF CHEMICAL PHYSICS (2013)

Article Chemistry, Medicinal

ThermoData Engine (TDE) Software Implementation of the Dynamic Data Evaluation Concept. 7. Ternary Mixtures

Vladimir Diky et al.

JOURNAL OF CHEMICAL INFORMATION AND MODELING (2012)

Article Chemistry, Multidisciplinary

PSI4: an open-source ab initio electronic structure program

Justin M. Turney et al.

WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE (2012)

Article Chemistry, Multidisciplinary

The ORCA program system

Frank Neese

WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE (2012)

Article Chemistry, Medicinal

Thermo Data Engine (TDE): Software Implementation of the Dynamic Data Evaluation Concept. 5. Experiment Planning and Product Design

Vladimir Diky et al.

JOURNAL OF CHEMICAL INFORMATION AND MODELING (2011)

Article Chemistry, Multidisciplinary

Effect of the Damping Function in Dispersion Corrected Density Functional Theory

Stefan Grimme et al.

JOURNAL OF COMPUTATIONAL CHEMISTRY (2011)

Article Thermodynamics

Gaseous Phase Heat Capacity of Benzoic Acid

Luis M. N. B. F. Santos et al.

JOURNAL OF CHEMICAL AND ENGINEERING DATA (2010)

Article Chemistry, Physical

Property-optimized Gaussian basis sets for molecular response calculations

Dmitrij Rappoport et al.

JOURNAL OF CHEMICAL PHYSICS (2010)

Article Thermodynamics

Solidification Behavior of the Benzamide plus O-Chlorobenzoic Acid Eutectic System

Nakshatra Bahadur Singh et al.

JOURNAL OF CHEMICAL AND ENGINEERING DATA (2009)

Article Chemistry, Medicinal

ThermoData Engine (TDE): Software Implementation of the Dynamic Data Evaluation Concept. 3. Binary Mixtures

Vladimir Diky et al.

JOURNAL OF CHEMICAL INFORMATION AND MODELING (2009)

Article Chemistry, Medicinal

ThermoData Engine (TDE): Software Implementation of the Dynamic Data Evaluation Concept. 4. Chemical Reactions

Vladimir Diky et al.

JOURNAL OF CHEMICAL INFORMATION AND MODELING (2009)

Review Chemistry, Multidisciplinary

A Hierarchy of Homodesmotic Reactions for Thermochemistry

Steven E. Wheeler et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2009)

Article Spectroscopy

FT-IR and FT-Raman vibrational assignment of 2-bromobenzoic acid with the help of ab initio and DFT calculations

J. Swaminathan et al.

SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY (2009)

Article Thermodynamics

Standard molar enthalpies of formation of the three isomers of chloroanisole

Manuel A. V. Ribeiro da Silva et al.

JOURNAL OF CHEMICAL THERMODYNAMICS (2008)

Article Chemistry, Physical

An evaluation of harmonic vibrational frequency scale factors

Jeffrey P. Merrick et al.

JOURNAL OF PHYSICAL CHEMISTRY A (2007)

Article Chemistry, Physical

Combined experimental and computational study of the thermochemistry of the fluoroaniline isomers

Manuel A. V. Ribeiro da Silva et al.

JOURNAL OF PHYSICAL CHEMISTRY B (2007)

Article Chemistry, Physical

Gaussian-4 theory

Larry A. Curtiss et al.

JOURNAL OF CHEMICAL PHYSICS (2007)

Article Energy & Fuels

Simple correlation estimates critical properties of alkanes

F. Vejahati et al.

PETROLEUM SCIENCE AND TECHNOLOGY (2007)

Article Thermodynamics

Thermodynamic properties of 2-adamantanone in the condensed and ideal gaseous states

Ala B. Bazyleva et al.

THERMOCHIMICA ACTA (2006)

Article Thermodynamics

Thermodynamic properties of [C6mim][NTf2] in the condensed state

Andrey V. Blokhin et al.

JOURNAL OF CHEMICAL AND ENGINEERING DATA (2006)

Article Thermodynamics

The design, construction, and testing of a new Knudsen effusion apparatus

Manuel A. V. Ribeiro da Silva et al.

JOURNAL OF CHEMICAL THERMODYNAMICS (2006)

Review Thermodynamics

Recommended vapor pressure of solid naphthalene

K Ruzicka et al.

JOURNAL OF CHEMICAL AND ENGINEERING DATA (2005)

Article Thermodynamics

The thermodynamic properties of 1-bromoadamantane in the gaseous state

AB Bazyleva et al.

THERMOCHIMICA ACTA (2005)

Article Chemistry, Medicinal

ThermoData engine (TDE): Software implementation of the dynamic data evaluation concept

M Frenkel et al.

JOURNAL OF CHEMICAL INFORMATION AND MODELING (2005)

Article Thermodynamics

Thermodynamic study of the sublimation of six halobenzoic acids

MAVR da Silva et al.

JOURNAL OF CHEMICAL THERMODYNAMICS (2005)

Article Chemistry, Physical

Experimental and numerical studies of ethanol decomposition reactions

J Li et al.

JOURNAL OF PHYSICAL CHEMISTRY A (2004)

Review Chemistry, Physical

Introduction to active thermochemical tables: Several key enthalpies of formation revisited

B Ruscic et al.

JOURNAL OF PHYSICAL CHEMISTRY A (2004)

Article Thermodynamics

Vapor pressures and enthalpies of vaporization of a series of 1-and 2-halogenated naphthalenes

SP Verevkin

JOURNAL OF CHEMICAL THERMODYNAMICS (2003)

Article Thermodynamics

Heat capacities and thermodynamic functions of p-chlorobenzoic acid

ZC Tan et al.

JOURNAL OF CHEMICAL THERMODYNAMICS (2002)

Article Thermodynamics

An experimental system for measurement of enthalpies of sublimation by d.s.c.

A Rojas-Aguilar et al.

JOURNAL OF CHEMICAL THERMODYNAMICS (2001)

Article Chemistry, Multidisciplinary

Liquid crystals comprising hydrogen-bonded organic acids - I. Mixtures of non-mesogenic acids

SK Kang et al.

LIQUID CRYSTALS (2000)