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Interplay of thermochemistry and structural chemistry, the journal (volume 24, 2013, issues 1–2) and the discipline

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Abstract

The contents of issues 1 and 2 for the calendar year 2013 are summarized in the current review of the journal Structural Chemistry. In addition, a brief thermochemical commentary is added to the summary of each paper.

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Abbreviations

3D-QSAR:

Three-dimensional quantitative structure–activity relationship

AIM:

Atoms in molecules

BNNT:

Boron nitride nanotube

DFT:

Density functional theory

EDA:

Energy decomposition analysis

ETA:

Extended topochemical atom

HOF:

Heat of formation

HOMA:

Harmonic oscillator model of aromaticity

IHB:

Intramolecular hydrogen bonding

MM:

Molecular mechanics

MP2:

Second-order Møller-Plesset perturbation

NBO:

Natural bond orbital

PCB:

Polychlorobiphenyl

PCDD:

Polychlorodibenzodioxin

PCDF:

Polychlorodibenzofuran

PES:

Potential energy surface

QTAIM:

Quantum theory of atoms in molecules

TDDFT:

Time-dependent density functional theory

VCD:

Vibrational circular dichroism

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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 Biology and Chemistry, County College of Morris, 214 Center Grove Road, Randolph, NJ, 07869, USA

    Loryn R. Keating

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

    Joel F. Liebman

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

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Special Issue honoring Prof. Maria Victoria Roux.

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Ponikvar-Svet, M., Zeiger, D.N., Keating, L.R. et al. Interplay of thermochemistry and structural chemistry, the journal (volume 24, 2013, issues 1–2) and the discipline. Struct Chem 24, 2101–2114 (2013). https://doi.org/10.1007/s11224-013-0358-2

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  • DOI: https://doi.org/10.1007/s11224-013-0358-2

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