“…The subsequent paper, by Ponikvar-Svet et al [17] is a review paper in which thermochemistry is related to the content of the issues 4-6 of Structural Chemistry for the year 2012. This paper, therefore, may be viewed as a conceptual ''ancestor'' of the current paper.…”
Section: Issuementioning
confidence: 99%
“…In the present review, which is a conceptual successor of our earlier reviews [3][4][5][6][7][8][9][10][11][12][13][14][15][16][17][18][19], a brief content of each paper from issues 5 and 6 of 2013 volume, with the exception of errata is first presented. The attempts are then made to link the content of each paper with thermochemistry and also to suggest the fields of research that remained to be investigated.…”
The contents of issues 5 and 6 for the calendar year 2013 are summarized in the current review of the journal Structural Chemistry. A brief thermochemical commentary is added to the summary of each paper.
“…The subsequent paper, by Ponikvar-Svet et al [17] is a review paper in which thermochemistry is related to the content of the issues 4-6 of Structural Chemistry for the year 2012. This paper, therefore, may be viewed as a conceptual ''ancestor'' of the current paper.…”
Section: Issuementioning
confidence: 99%
“…In the present review, which is a conceptual successor of our earlier reviews [3][4][5][6][7][8][9][10][11][12][13][14][15][16][17][18][19], a brief content of each paper from issues 5 and 6 of 2013 volume, with the exception of errata is first presented. The attempts are then made to link the content of each paper with thermochemistry and also to suggest the fields of research that remained to be investigated.…”
The contents of issues 5 and 6 for the calendar year 2013 are summarized in the current review of the journal Structural Chemistry. A brief thermochemical commentary is added to the summary of each paper.
“…Therefore, the structure of this review remains the same as that of its predecessors, and it follows the same conventions as the reviews for 2000 [2], 2001 [3], 2002 [4], 2003 [5], 2004 [6], 2005 [7], 2006 [8], 2007 [9], 2008 [10], 2009 [11], 2010 [12], 2011 (issues 1-3) [13], 2011 (issues 4-6) [14], 2012 (issues 1-3) [15], 2012 (issues 4-6) [16], 2013 (issues 1-2) [17], 2013 (issues 3-4) [18], 2013 (issues 5-6) [19], 2014 (issues 1-2) [20], 2014 (issues 3-4) [21], and 2014 (issues 5-6) [22]. All data for inorganic compounds with otherwise unreferenced enthalpies of formation are assumed from the ''Wagman compendium'' [23], and corresponding unreferenced enthalpies of formation of organic compounds are assumed from the ''Pedley compendium'' [24].…”
The contents of issues 1 and 2 of Structural Chemistry from the calendar year 2015 are summarized in the present review. A brief thermochemical commentary and possible guidelines for future research are added to the summary of each paper. Abbreviations AdNDP Adaptive natural density partitioning AIM Atoms in molecules BNNT Boron nitride nanotube CBS Complete basis set DFT Density functional theory HF Hartree-Fock GIAO Gauge-independent atomic orbital HOMO Highest occupied molecular orbital LMO-EDA Localized molecular orbital energy decomposition analysis LUMO Lowest unoccupied molecular orbital MD Molecular dynamics MP2 Second-order Møller-Plesset perturbation NBO Natural bond orbital NMR Nuclear magnetic resonance NT Nanotube ONIOM Our own N-layered integrated molecular orbital and molecular mechanics PCM Polarized continuum model QM/MM Quantum mechanics molecular mechanics QSAR Quantitative structure activity relationship QTAIM Quantum theory of atoms in molecules SAC-CI Symmetry-adapted cluster configuration interaction SAPT Symmetry-adapted perturbation theory SW Stone-Wales TD Time-dependent
“…Our ''Structural Chemistry reviews'' [1][2][3][4][5][6][7][8][9][10][11][12][13][14][15][16] provide a means of contextualizing the new findings presented in this journal. Brief summaries of the articles (with the exception of obituaries and book reviews) are given along with thermochemical commentary.…”
The contents of issues 3 and 4 for the calendar year 2013 are summarized in the current review of the journal Structural Chemistry. A brief thermochemical commentary is added to the summary of each paper. Abbreviations AIM Atoms in molecules BNNT Boron nitride nanotube CNC Carbon nanocone CSD Crystal structure determination DFT Density functional theory DNB 1,5-Dinitrobiuret EDA Energy decomposition analysis HF Hartree-Fock GED Gas electron diffraction GIAO Gauge-independent atomic orbital HOMA Harmonic oscillator measure of aromaticity MD Molecular dynamics MP Møller-Plesset perturbation MP2Second-order Møller-Plesset perturbation NRT Natural resonance theory ONIOM Our own N-layered integrated molecular orbital and molecular mechanics QTAIM Quantum theory of atoms-in-molecules NAO Natural atomic orbital NBO Natural bond orbital PES Potential energy surface
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