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Interplay of thermochemistry and structural chemistry, the journal (volume 25, 2014, issues 1–2) and the discipline

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Abstract

The contents of issues 1 and 2 for the calendar year 2014 are summarized in the current review of the journal Structural Chemistry. A brief thermochemical commentary is added to the summary of each paper.

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Abbreviations

3D:

Three dimensional

AIM:

Atoms in molecules

CAM:

Conformational analysis method

DFT:

Density functional theory

DOS:

Density of states

GIAO:

Gauge-induced atomic orbital

GEMC:

Gibbs ensemble Monte Carlo

GCMC:

Grand canonical Monte Carlo

HF:

Hartree–Fock

IRM:

Isodesmic reaction method

MM:

Molecular mechanics

MD:

Molecular dynamics

MP2:

Second-order Møller–Plesset perturbation

NT:

Nanotubes

NBO:

Natural bond orbital

OCM:

Open–close method

PES:

Potential energy surface

QSAR:

Quantitative structure–activity relationship

QSPR:

Quantitative structure–property relationships

QTAIM:

Quantum theory of atoms in molecules

RRKM:

Rice–Ramsperger–Kassel–Marcus

RBM:

Rotational barrier method

RRM:

Related rotamers method

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Acknowledgments

One of the authors (MPS) gratefully acknowledges the Slovenian Research Agency (ARRS Grant P1-0045, Inorganic Chemistry and Technology) for financial support.

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Authors and Affiliations

  1. Department of Inorganic Chemistry and Technology, Jožef Stefan Institute, Jamova 39, 1000, Ljubljana, Slovenia

    Maja Ponikvar-Svet

  2. American Journal Experts, Durham, NC, 27707, USA

    Diana N. Zeiger

  3. Department of Chemistry and Biochemistry, University of Maryland, Baltimore County, Baltimore, MD, 21250, USA

    Joel F. Liebman

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  3. Joel F. Liebman
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Correspondence to Maja Ponikvar-Svet or Joel F. Liebman.

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Ponikvar-Svet, M., Zeiger, D.N. & Liebman, J.F. Interplay of thermochemistry and structural chemistry, the journal (volume 25, 2014, issues 1–2) and the discipline. Struct Chem 26, 623–635 (2015). https://doi.org/10.1007/s11224-015-0572-1

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  • DOI: https://doi.org/10.1007/s11224-015-0572-1

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