Comment on “18 and 12 – Member carbon rings (cyclo[n]carbons) – A density functional study”

Remarkable Size Effect on Photophysical and Nonlinear Optical Properties of All‐Carboatomic Rings, Cyclo[18]carbon and Its Analogues

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An sp-hybridized all-carboatomic ring, cyclo[18]carbon: Bonding character, electron delocalization, and aromaticity

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An sp-hybridized all-carboatomic ring, cyclo[18]carbon: Electronic structure, electronic spectrum, and optical nonlinearity

(2020) Zeyu Liu et al.   CARBON

Intermolecular interaction characteristics of the all-carboatomic ring, cyclo[18]carbon: Focusing on molecular adsorption and stacking

(2020) Zeyu Liu et al.   CARBON

Vibrational Spectra and Molecular Vibrational Behaviors of All‐Carboatomic Rings, cyclo[18]carbon and Its Analogues

(2020) Zeyu Liu et al.   Chemistry-An Asian Journal

Ultrastrong Regulation Effect of the Electric Field on the All‐Carboatomic Ring Cyclo[18]Carbon**

(2020) Tian Lu et al.   CHEMPHYSCHEM

18 and 12 – Member carbon rings (cyclo[n]carbons) – A density functional study

(2020) K. Iyakutti et al.   Materials Science and Engineering B-Advanced Functional Solid-State Materials

An sp-hybridized molecular carbon allotrope, cyclo[18]carbon

(2019) Katharina Kaiser et al.   SCIENCE

Cyclo[18]carbon: Insight into Electronic Structure, Aromaticity, and Surface Coupling

(2019) Glib V. Baryshnikov et al.   Journal of Physical Chemistry Letters

Thirty years of density functional theory in computational chemistry: an overview and extensive assessment of 200 density functionals

(2017) Narbe Mardirossian et al.   MOLECULAR PHYSICS

Accurately extracting the signature of intermolecular interactions present in the NCI plot of the reduced density gradient versus electron density

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Theoretical insight into hydrogen adsorption onto graphene: a first-principles B3LYP-D3 study

(2015) M. Darvish Ganji et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

ωB97X-V: A 10-parameter, range-separated hybrid, generalized gradient approximation density functional with nonlocal correlation, designed by a survival-of-the-fittest strategy

(2013) Narbe Mardirossian et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Multiwfn: A multifunctional wavefunction analyzer

(2011) Tian Lu et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Density functional theory with London dispersion corrections

(2011) Stefan Grimme   Wiley Interdisciplinary Reviews-Computational Molecular Science

A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

(2010) Stefan Grimme et al.   JOURNAL OF CHEMICAL PHYSICS

Revealing Noncovalent Interactions

(2010) Erin R. Johnson et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Do Special Noncovalent π–π Stacking Interactions Really Exist?

(2008) Stefan Grimme   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Long-range corrected hybrid density functionals with damped atom–atom dispersion corrections

(2008) Jeng-Da Chai et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS