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A new equation of state for real gases developed into the framework of Bader’s Theory. / Tantardini, Christian.

In: Theoretical Chemistry Accounts, Vol. 137, No. 7, 93, 01.07.2018.

Research output: Contribution to journal › Article › peer-review

Harvard

Tantardini, C 2018, 'A new equation of state for real gases developed into the framework of Bader’s Theory', Theoretical Chemistry Accounts, vol. 137, no. 7, 93. https://doi.org/10.1007/s00214-018-2271-7

APA

Tantardini, C. (2018). A new equation of state for real gases developed into the framework of Bader’s Theory. Theoretical Chemistry Accounts, 137(7), [93]. https://doi.org/10.1007/s00214-018-2271-7

Vancouver

Tantardini C. A new equation of state for real gases developed into the framework of Bader’s Theory. Theoretical Chemistry Accounts. 2018 Jul 1;137(7):93. doi: 10.1007/s00214-018-2271-7

Author

Tantardini, Christian. / A new equation of state for real gases developed into the framework of Bader’s Theory. In: Theoretical Chemistry Accounts. 2018 ; Vol. 137, No. 7.

BibTeX

@article{ccc6b2b7f16c456dbb2689711ab11d87,
title = "A new equation of state for real gases developed into the framework of Bader{\textquoteright}s Theory",
abstract = "The van der Waals equation since now represented the unique equation of state for real gases with a spherical atomic partition, which was disproved during the years by different scientists including Bader and co-workers. Thus, through a work into the framework of Bader{\textquoteright}s Theory a new equation of state for real gases due to the substitution of van der Walls dumping parameters is presented and tested on a series of gas (monoatomic, diatomic, and triatomic). The different atomic partition and the interaction energy obtained through ab initio calculation proposed in the new equation showed the best feasibility of the latter respect to van der Waals equation.",
keywords = "Equation of state, Hydrogen bond, QTAIM, van der Waals equation, VAN, DIFFUSION-COEFFICIENTS, CRYSTAL-STRUCTURES, DER-WAALS RADII, CHARGE-DENSITY, HYDROGEN, ELEMENTS, CONDENSED MOLECULES, CLUSTERS, CHEMISTRY",
author = "Christian Tantardini",
year = "2018",
month = jul,
day = "1",
doi = "10.1007/s00214-018-2271-7",
language = "English",
volume = "137",
journal = "Theoretical Chemistry Accounts",
issn = "1432-881X",
publisher = "Springer Nature",
number = "7",

}

RIS

TY - JOUR

T1 - A new equation of state for real gases developed into the framework of Bader’s Theory

AU - Tantardini, Christian

PY - 2018/7/1

Y1 - 2018/7/1

N2 - The van der Waals equation since now represented the unique equation of state for real gases with a spherical atomic partition, which was disproved during the years by different scientists including Bader and co-workers. Thus, through a work into the framework of Bader’s Theory a new equation of state for real gases due to the substitution of van der Walls dumping parameters is presented and tested on a series of gas (monoatomic, diatomic, and triatomic). The different atomic partition and the interaction energy obtained through ab initio calculation proposed in the new equation showed the best feasibility of the latter respect to van der Waals equation.

AB - The van der Waals equation since now represented the unique equation of state for real gases with a spherical atomic partition, which was disproved during the years by different scientists including Bader and co-workers. Thus, through a work into the framework of Bader’s Theory a new equation of state for real gases due to the substitution of van der Walls dumping parameters is presented and tested on a series of gas (monoatomic, diatomic, and triatomic). The different atomic partition and the interaction energy obtained through ab initio calculation proposed in the new equation showed the best feasibility of the latter respect to van der Waals equation.

KW - Equation of state

KW - Hydrogen bond

KW - QTAIM

KW - van der Waals equation

KW - VAN

KW - DIFFUSION-COEFFICIENTS

KW - CRYSTAL-STRUCTURES

KW - DER-WAALS RADII

KW - CHARGE-DENSITY

KW - HYDROGEN

KW - ELEMENTS

KW - CONDENSED MOLECULES

KW - CLUSTERS

KW - CHEMISTRY

UR - http://www.scopus.com/inward/record.url?scp=85048680187&partnerID=8YFLogxK

U2 - 10.1007/s00214-018-2271-7

DO - 10.1007/s00214-018-2271-7

M3 - Article

AN - SCOPUS:85048680187

VL - 137

JO - Theoretical Chemistry Accounts

JF - Theoretical Chemistry Accounts

SN - 1432-881X

IS - 7

M1 - 93

ER -

ID: 14048649