Related references
Note: Only part of the references are listed.Tunneling by 16 Carbons: Planar Bond Shifting in [16]Annulene
Cameron S. Michel et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2019)
Chemists make first ring of pure carbon
Davide Castelvecchi
NATURE (2019)
An sp-hybridized molecular carbon allotrope, cyclo[18]carbon
Katharina Kaiser et al.
SCIENCE (2019)
Cyclo[18]carbon: Insight into Electronic Structure, Aromaticity, and Surface Coupling
Glib V. Baryshnikov et al.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2019)
The Molecular Structure of gauche-1,3-Butadiene: Experimental Establishment of Non-planarity
Joshua H. Baraban et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2018)
W4-17: A Diverse and High-Confidence Dataset of Atomization Energies for Benchmarking High-Level Electronic Structure Methods
Amir Karton et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2017)
Reactions that involve tunneling by carbon and the role that calculations have played in their study
Weston Thatcher Borden
WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE (2016)
Thermally activated tunneling in organic reactions
Edyta M. Greer et al.
TETRAHEDRON (2016)
Cyclopropenyl Anions: Carbon Tunneling or Diradical Formation? A Contest between Jahn-Teller and Hund
Sebastian Kozuch
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2015)
Exploring the Accuracy Limits of Local Pair Natural Orbital Coupled-Cluster Theory
Dimitrios G. Liakos et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2015)
Is It Possible To Obtain Coupled Cluster Quality Energies at near Density Functional Theory Cost? Domain-Based Local Pair Natural Orbital Coupled Cluster vs Modern Density Functional Theory
Dimitrios G. Liakos et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2015)
The Nature of One-Dimensional Carbon: Polyynic versus Cumulenic
Christian Neiss et al.
CHEMPHYSCHEM (2014)
Heavy atom tunneling in the automerization of pentalene and other antiaromatic systems
Sebastian Kozuch
RSC ADVANCES (2014)
An efficient and near linear scaling pair natural orbital based local coupled cluster method
Christoph Riplinger et al.
JOURNAL OF CHEMICAL PHYSICS (2013)
A simple DFT-based diagnostic for nondynamical correlation
Uma R. Fogueri et al.
THEORETICAL CHEMISTRY ACCOUNTS (2013)
The ORCA program system
Frank Neese
WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE (2012)
A diagnostic for determining the quality of single-reference electron correlation methods
Timothy J. Lee et al.
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY (2010)
Double Aromaticity and Ring Currents in All-Carbon Rings
Patrick W. Fowler et al.
CHEMISTRY-A EUROPEAN JOURNAL (2009)
CCSD calculations on C14, C18, and C22 carbon clusters
Sundaram Arulmozhiraja et al.
JOURNAL OF CHEMICAL PHYSICS (2008)
W4 theory for computational thermochemistry: In pursuit of confident sub-kJ/mol predictions
Amir Karton et al.
JOURNAL OF CHEMICAL PHYSICS (2006)
Electron correlation in C4N+2 carbon rings:: Aromatic versus dimerized structures
T Torelli et al.
PHYSICAL REVIEW LETTERS (2000)