Accurate Biomolecular Structures by the Nano-LEGO Approach: Pick the Bricks and Build Your Geometry-Reference-Cited by-同舟云学术

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Accurate Biomolecular Structures by the Nano-LEGO Approach: Pick the Bricks and Build Your Geometry

Published:2021-10-20 Issue:11 Volume:17 Page:7290-7311
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Ceselin Giorgia¹,Barone Vincenzo¹^ORCID,Tasinato Nicola¹^ORCID

Affiliation:

1. Scuola Normale Superiore, Piazza Dei Cavalieri 7, I-56126 Pisa, Italy

Funder

Scuola Normale Superiore

Agenzia Spaziale Italiana

Ministero dell'Istruzione, dell'Universit?? e della Ricerca

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.1c00788

Reference89 articles.

1. Experimental, semi-experimental andab initioequilibrium structures

2. Diving for Accurate Structures in the Ocean of Molecular Systems with the Help of Spectroscopy and Quantum Chemistry

3. Effects of London dispersion correction in density functional theory on the structures of organic molecules in the gas phase

4. Benchmarking Density Functionals on Structural Parameters of Small-/Medium-Sized Organic Molecules

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3. Structural and Electronic Evolution of Ethanolamine upon Microhydration: Insights from Hyperfine Resolved Rotational Spectroscopy;Angewandte Chemie International Edition;2024-09-02

4. The Semiexperimental Approach at Work: Equilibrium Structure of Radical Species;The Journal of Physical Chemistry A;2024-07-11

5. Accurate structures and rotational constants of bicyclic monoterpenes at DFT cost by means of the bond-corrected Pisa composite scheme (BPCS);The Journal of Chemical Physics;2024-07-03

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