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1

NIST-JANAF Thermochemical Tables. I. Ten Organic Molecules Related to Atmospheric Chemistry

Dorofeeva, Olga

Journal:

Journal of Physical and Chemical Reference Data

Year:

2001

Language:

english

File:

PDF, 357 KB

english, 2001

2

Enthalpies of formation of nitromethane and nitrobenzene: Theory vs experiment

Dorofeeva, Olga V., Suntsova, Marina A.

Journal:

The Journal of Chemical Thermodynamics

Year:

2013

Language:

english

File:

PDF, 322 KB

english, 2013

3

Accurate Prediction of Enthalpies of Formation of Organic Azides by Combining G4 Theory Calculations with an Isodesmic Reaction Scheme

Dorofeeva, Olga V., Ryzhova, Oxana N., Suntsova, Marina A.

Journal:

Journal of Physical Chemistry A

Year:

2013

Language:

english

File:

PDF, 1.67 MB

english, 2013

4

Revision of standard molar enthalpies of formation of glycine and l-alanine in the gaseous phase on the basis of theoretical calculations

Olga V. Dorofeeva, Oxana N. Ryzhova

Journal:

The Journal of Chemical Thermodynamics

Year:

2009

Language:

english

File:

PDF, 264 KB

english, 2009

5

Gas-Phase Enthalpies of Formation and Enthalpies of Sublimation of Amino Acids Based on Isodesmic Reaction Calculations

Dorofeeva, Olga V., Ryzhova, Oxana N.

Journal:

Journal of Physical Chemistry A

Year:

2014

Language:

english

File:

PDF, 1.08 MB

english, 2014

6

Enthalpy of formation of guanidine and its amino and nitro derivatives

Dorofeeva, Olga V., Ryzhova, Oxana N., Sinditskii, Valery P.

Journal:

Structural Chemistry

Year:

2015

Language:

english

File:

PDF, 792 KB

english, 2015

7

Assessment of Gaussian-4 theory for the computation of enthalpies of formation of large organic molecules

Olga V. Dorofeeva, Inna N. Kolesnikova, Ilya I. Marochkin, Oxana N. Ryzhova

Journal:

Structural Chemistry

Year:

2011

Language:

english

File:

PDF, 1.72 MB

english, 2011

8

Amide bond dissociation enthalpies: Effect of substitution on NC bond strength

Ilya I. Marochkin, Olga V. Dorofeeva

Journal:

Computational and Theoretical Chemistry

Year:

2012

Language:

english

File:

PDF, 1.10 MB

english, 2012

9

Comments on “Heat Capacity, Enthalpy of Formation, and Entropy of Methyl Carbamate”

Marochkin, Ilya I., Dorofeeva, Olga V.

Journal:

Industrial & Engineering Chemistry Research

Year:

2012

Language:

english

File:

PDF, 157 KB

english, 2012

10

Aliphatic Amines: A Critical Analysis of the Experimental Enthalpies of Formation by Comparison with Theoretical Calculations

Dorofeeva, Olga V., Filimonova, Marina A., Marochkin, Ilya I.

Journal:

Journal of Chemical & Engineering Data

Year:

2019

Language:

english

File:

PDF, 759 KB

english, 2019

11

Self-consistent enthalpies of formation of adamantanes by isodesmic reaction network

Dorofeeva, Olga V., Filimonova, Marina A.

Journal:

The Journal of Chemical Thermodynamics

Year:

2018

Language:

english

File:

PDF, 440 KB

english, 2018

12

Enthalpies of formation of biphenyl, 2,2′- and 4,4′-dichlorobiphenyls: density functional calculations

Olga V. Dorofeeva, Vladimir S. Yungman

Journal:

Fluid Phase Equilibria

Year:

2002

Language:

english

File:

PDF, 42 KB

english, 2002

13

Sublimation enthalpy of 1-aminoadamantane: Comparison of theory and experiment

Dorofeeva, Olga V., Filimonova, Marina A.

Journal:

Chemical Physics Letters

Year:

2018

Language:

english

File:

PDF, 848 KB

english, 2018

14

Performance of DFT, MP2, and composite ab initio methods for the prediction of enthalpies of formations of CHON compounds using isodesmic reactions

Dorofeeva, Olga V., Osina, Evgeniya L.

Journal:

Computational and Theoretical Chemistry

Year:

2017

Language:

english

File:

PDF, 1.04 MB

english, 2017

15

Structure and energetic properties of 1,5-dinitrobiuret

Suntsova, Marina A., Marochkin, Ilya I., Dorofeeva, Olga V.

Journal:

Structural Chemistry

Year:

2013

Language:

english

File:

PDF, 462 KB

english, 2013

16

On calculation of thermodynamic properties of polycyclic aromatic hydrocarbons

Olga V. Dorofeeva, Lev V. Gurvich, Sven J. Cyvin

Journal:

Thermochimica Acta

Year:

1986

Language:

english

File:

PDF, 553 KB

english, 1986

17

Theoretical calculation of enthalpy of formation of multiconformational molecules: 1,2-ethanediol, propanediols, and glycerol

Dorofeeva, Olga V., Suchkova, Taisiya A.

Journal:

Chemical Physics Letters

Year:

2018

Language:

english

File:

PDF, 486 KB

english, 2018

18

Experimental enthalpies of formation and sublimation of urea compounds: An accuracy assessment

Dorofeeva, Olga V., Suchkova, Taisiya A.

Journal:

The Journal of Chemical Thermodynamics

Year:

2018

Language:

english

File:

PDF, 777 KB

english, 2018

19

Enthalpies of formation of nitromethane and nitrobenzene: New experiments vs. quantum chemical calculations

Verevkin, Sergey P., Emel’yanenko, Vladimir N., Diky, Vladimir, Dorofeeva, Olga V.

Journal:

The Journal of Chemical Thermodynamics

Year:

2014

Language:

english

File:

PDF, 1.25 MB

english, 2014

20

Enthalpy of formation of CL-20

Dorofeeva, Olga V., Suntsova, Marina A.

Journal:

Computational and Theoretical Chemistry

Year:

2015

Language:

english

File:

PDF, 471 KB

english, 2015

21

Comments on “Estimated Gas-Phase Standard State Enthalpies of Formation for Organic Compounds Using the Gaussian-4 (G4) and W1BD Theoretical Methods” (Rayne, S.; Forest, K. J. Chem. Eng. Data 2010 , 55 , 5359−5364)

Dorofeeva, Olga V.

Journal:

Journal of Chemical & Engineering Data

Year:

2011

Language:

english

File:

PDF, 701 KB

english, 2011

22

NIST-JANAF Thermochemical Tables. II. Three Molecules Related to Atmospheric Chemistry: HNO[sub 3], H[sub 2]SO[sub 4], and H[sub 2]O[sub 2]

Dorofeeva, Olga V.

Journal:

Journal of Physical and Chemical Reference Data

Year:

2003

Language:

english

File:

PDF, 202 KB

english, 2003

23

Use of G4 Theory for the Assessment of Inaccuracies in Experimental Enthalpies of Formation of Aromatic Nitro Compounds

Suntsova, Marina A., Dorofeeva, Olga V.

Journal:

Journal of Chemical & Engineering Data

Year:

2015

Language:

english

File:

PDF, 712 KB

english, 2015

24

Prediction of enthalpies of sublimation of high-nitrogen energetic compounds: Modified Politzer model

Suntsova, Marina A., Dorofeeva, Olga V.

Journal:

Journal of Molecular Graphics and Modelling

Year:

2017

Language:

english

File:

PDF, 1.06 MB

english, 2017

25

Enthalpies of formation of β-alanine, sarcosine, and 4-aminobutanoic acid from quantum chemical calculations

Olga V. Dorofeeva, Oxana N. Ryzhova

Journal:

The Journal of Chemical Thermodynamics

Year:

2010

Language:

english

File:

PDF, 340 KB

english, 2010

26

Enthalpy of Formation and O–H Bond Dissociation Enthalpy of Phenol: Inconsistency Between Theory and Experiment

Dorofeeva, Olga V., Ryzhova, Oxana N.

Journal:

Journal of Physical Chemistry A

Year:

2016

Language:

english

File:

PDF, 448 KB

english, 2016

27

Enthalpies of Formation of Hydrazine and Its Derivatives

Dorofeeva, Olga V., Ryzhova, Oxana N., Suchkova, Taisiya A.

Journal:

Journal of Physical Chemistry A

Year:

2017

Language:

english

File:

PDF, 547 KB

english, 2017

28

Enthalpies of formation of diamantanes in the gas and crystalline phase: comparison of theory and experiment

Dorofeeva, Olga V., Ryzhova, Oxana N.

Journal:

Structural Chemistry

Year:

2018

Language:

english

File:

PDF, 835 KB

english, 2018

29

Comment on “Use of G4 Theory for the Assessment of Inaccuracies in Experimental Enthalpies of Formation of Aliphatic Nitro Compounds and Nitramines”

Suntsova, Marina A., Dorofeeva, Olga V.

Journal:

Journal of Chemical & Engineering Data

Year:

2015

Language:

english

File:

PDF, 501 KB

english, 2015

30

Molecular structures of 2-methoxyphenol and 1,2-dimethoxybenzene as studied by gas-phase electron diffraction and quantum chemical calculations

Olga V. Dorofeeva, Igor F. Shishkov, Nikolai M. Karasev, Lev V. Vilkov, Heinz Oberhammer

Journal:

Journal of Molecular Structure

Year:

2009

Language:

english

File:

PDF, 777 KB

english, 2009

31

Computational study of the thermodynamic properties of organophosphorus(V) compounds

Olga V. Dorofeeva, Oxana N. Ryzhova, Vasilii G. Zverev

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2007

Language:

english

File:

PDF, 341 KB

english, 2007

32

The molecular structure and conformation of cyclooctane as determined by electron diffraction and molecular mechanics calculations

Dorofeeva, Olga V., Mastryukov, Vladimir S., Allinger, Norman L., Almenningen, Arne

Journal:

Journal of Physical Chemistry

Year:

1985

Language:

english

File:

PDF, 725 KB

english, 1985

33

Sequence of bromination of ( E )-4,4-dimethyl- 6-isobutylidenecyclohex-2-en-1-one

Gavrilova, Geta V., Krut’ko, Dmitri P., Grishin, Yuri K., Dorofeeva, Olga V., Churakov, Andrei V., Beloglazkina, Elena K.

Journal:

Mendeleev Communications

Year:

2017

Language:

english

File:

PDF, 406 KB

english, 2017

34

Group additivity scheme for calculating the chemical thermodynamic properties of gaseous polycyclic aromatic hydrocarbons containing five-membered rings

Natalia F. Moiseeva, Olga V. Dorofeeva

Journal:

Thermochimica Acta

Year:

1990

Language:

english

File:

PDF, 413 KB

english, 1990

35

The heat capacities and thermodynamic functions of some derivatives of ferrocene

Olesya V. Krol, Anna I. Druzhinina, Raisa M. Varushchenko, Olga V. Dorofeeva, Marina D. Reshetova, Nataliya E. Borisova

Journal:

The Journal of Chemical Thermodynamics

Year:

2008

Language:

english

File:

PDF, 217 KB

english, 2008

36

Molecular Structure, Conformation, and Potential to Internal Rotation of 2,6- and 3,5-Difluoronitrobenzene Studied by Gas-Phase Electron Diffraction and Quantum Chemical Calculations

Dorofeeva, Olga V., Ferenets, Anna V., Karasev, Nikolai M., Vilkov, Lev V., Oberhammer, Heinz

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 226 KB

english, 2008

37

Aliphatic Amines: A Critical Analysis of the Experimental Enthalpies of Formation by Comparison with Theoretical Calculations

Dorofeeva, Olga V., Filimonova, Marina A., Marochkin, Ilya I.

Journal:

Journal of Chemical & Engineering Data

Year:

2019

File:

PDF, 759 KB

2019

38

Development of benson group additivity method for estimation of ideal gas thermodynamic properties of polycyclic aromatic hydrocarbons

Natalia F. Moiseeva, Olga V. Dorofeeva, Vladimir S. Jorish

Journal:

Thermochimica Acta

Year:

1989

Language:

english

File:

PDF, 510 KB

english, 1989

39

Ab initio conformational analysis and geometry optimization of cyclooctane and comparison with molecular mechanics results

Khamis Siam, Olga V. Dorofeeva, Vladimir S. Mastryukov, John D. Ewbank, Norman L. Allinger, Lothar Schäfer

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1988

Language:

english

File:

PDF, 671 KB

english, 1988

40

Molecular structure and relative stability oftransandcisisomers of formanilide: gas-phase electron diffraction and quantum chemical studies

Ilya I. Marochkin, Olga V. Dorofeeva

Journal:

Structural Chemistry

Year:

2013

Language:

english

File:

PDF, 610 KB

english, 2013

41

Computational Study of the Thermochemistry of Organophosphorus(III) Compounds

Dorofeeva, Olga V., Moiseeva, Natalia F.

Journal:

Journal of Physical Chemistry A

Year:

2006

Language:

english

File:

PDF, 66 KB

english, 2006

42

Phase Equilibria and Thermodynamic Properties of Some Branched Alkyl Ethers †

Efimova, Anastasia A., Druzhinina, Anna I., Varushchenko, Raisa M., Dorofeeva, Olga V., Krasnyh, Eugenii L.

Journal:

Journal of Chemical & Engineering Data

Year:

2009

Language:

english

File:

PDF, 429 KB

english, 2009

43

Electron diffraction determination of the molecular structure of 1,6-dicarba-closo-hexaborane(6)

Mastryukov, Vladimir S., Dorofeeva, Olga V., Vilkov, Lev V., Zhigach, Alekset F., Laptev, Vladimir T., Petrunin, Andrei B.

Journal:

Journal of the Chemical Society Chemical Communications

Year:

1973

Language:

english

File:

PDF, 153 KB

english, 1973

44

Electron diffraction study of 3-methyldiaziridine

Mastryukov, Vladimir S., Dorofeeva, Olga V., Vilkov, Lev V.

Journal:

Journal of the Chemical Society Chemical Communications

Year:

1974

Language:

english

File:

PDF, 145 KB

english, 1974

45

Thermodynamic properties of linear carbon chain molecules with conjugated triple bonds Part 2. Free radicals CnH (n = 2–12) and CnN (n = 2–11)

Olga V. Dorofeeva, Lev V. Gurvich

Journal:

Thermochimica Acta

Year:

1992

Language:

english

File:

PDF, 892 KB

english, 1992

46

Molecular Structure and Conformational Composition of 1-[(Methylthio)methyl]-2-nitrobenzene (MTMNB): A Theoretical and Experimental Study

Olga V. Dorofeeva, Igor F. Shishkov, Lev V. Vilkov, István Hargittai

Journal:

Structural Chemistry

Year:

2005

Language:

english

File:

PDF, 175 KB

english, 2005

47

Thermodynamic Properties of Dibenzo- p -dioxin, Dibenzofuran, and Their Polychlorinated Derivatives in the Gaseous and Condensed Phases. 1. Thermodynamic Properties of Gaseous Compounds

Dorofeeva, Olga V., Iorish, Vladimir S., Moiseeva, Natalia F.

Journal:

Journal of Chemical & Engineering Data

Year:

1999

Language:

english

File:

PDF, 69 KB

english, 1999

48

Molecular Structure of 9 H -Adenine Tautomer: Gas-Phase Electron Diffraction and Quantum-Chemical Studies

Vogt, Natalja, Dorofeeva, Olga V., Sipachev, Victor A., Rykov, Anatolii N.

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 212 KB

english, 2009

49

Electron diffraction determination of the vapour phase molecular structure of azetidine, (CH2)3NH

Vladimir S. Mastryukov, Olga V. Dorofeeva, Lev V. Vilkov, István Hargittai

Journal:

Journal of Molecular Structure

Year:

1976

Language:

english

File:

PDF, 1.02 MB

english, 1976

50

Density functional theory study of conformations, barriers to internal rotations and torsional potentials of polychlorinated biphenyls

Olga V Dorofeeva, Vladimir P Novikov, Natalia F Moiseeva, Vladimir S Yungman

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2003

Language:

english

File:

PDF, 224 KB

english, 2003

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