ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTAb initio molecular orbital theoryWarren J. HehreCite this: Acc. Chem. Res. 1976, 9, 11, 399–406Publication Date (Print):November 1, 1976Publication History Published online1 May 2002Published inissue 1 November 1976https://pubs.acs.org/doi/10.1021/ar50107a003https://doi.org/10.1021/ar50107a003research-articleACS PublicationsRequest reuse permissionsArticle Views3547Altmetric-Citations280LEARN ABOUT THESE METRICSArticle Views are the COUNTER-compliant sum of full text article downloads since November 2008 (both PDF and HTML)…
Accounts of Chemical Research Template
Write in a clean editor, then format for Accounts of Chemical Research in one click — DocuGuru applies the official American Chemical Society template with superscript references and exports a submission-ready PDF plus the editable LaTeX source. Free to start.
About the Accounts of Chemical Research format
Accounts of Chemical Research is a peer-reviewed journal published by American Chemical Society, covering History and advancements in chemistry, Electrochemical Analysis and Applications, Molecular Junctions and Nanostructures. Over its lifetime it has published 9,173 papers, which have received 1,587,284 citations.
| Publisher | American Chemical Society |
|---|---|
| Reference style | Superscript numbered (ACS) Superscript — small raised numerals in the text (1) Smith, A.; Jones, B.; Lee, C. A Representative Article Title. Accounts of Chemical Research 2023, 12, 45–58.
Formats any DOI in Accounts of Chemical Research style. No sign-up. |
| Publishes research in | History and advancements in chemistry Electrochemical Analysis and Applications Molecular Junctions and Nanostructures Spectroscopy and Quantum Chemical Studies Catalytic C–H Functionalization Methods |
| ISSN | 0001-4842 |
| Citation impact (2-yr) | 18.67 |
| h-index | 559 |
| i10-index | 7,684 |
| Top institutions publishing here | Chinese Academy of Sciences |
| Journal website | pubs.acs.org |
| You get | A submission-ready PDF and the editable LaTeX source — ready to submit. |
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Most-cited papers in Accounts of Chemical Research
Although density functional theory is widely used in the computational chemistry community, the most popular density functional, B3LYP, has some serious shortcomings: (i) it is better for main-group chemistry than for transition metals; (ii) it systematically underestimates reaction barrier heights; (iii) it is inaccurate for interactions dominated by medium-range correlation energy, such as van der…
ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTThe path of chemical reactions - the IRC approachKenichi FukuiCite this: Acc. Chem. Res. 1981, 14, 12, 363–368Publication Date (Print):December 1, 1981Publication History Published online1 May 2002Published inissue 1 December 1981https://pubs.acs.org/doi/10.1021/ar00072a001https://doi.org/10.1021/ar00072a001research-articleACS PublicationsRequest reuse permissionsArticle Views7623Altmetric-Citations5299LEARN ABOUT THESE METRICSArticle Views are the COUNTER-compliant sum of full text article downloads since November 2008 (both…
Secondary building units (SBUs) are molecular complexes and cluster entities in which ligand coordination modes and metal coordination environments can be utilized in the transformation of these fragments into extended porous networks using polytopic linkers (1,4-benzenedicarboxylate, 1,3,5,7-adamantanetetracarboxylate, etc.). Consideration of the geometric and chemical attributes of the SBUs and linkers leads to prediction of the…
A historical perspective on the application of molecular dynamics (MD) to biological macromolecules is presented. Recent developments combining state-of-the-art force fields with continuum solvation calculations have allowed us to reach the fourth era of MD applications in which one can often derive both accurate structure and accurate relative free energies from molecular dynamics trajectories. We…