Related references
Note: Only part of the references are listed.Intermolecular interaction characteristics of the all-carboatomic ring, cyclo[18]carbon: Focusing on molecular adsorption and stacking
Zeyu Liu et al.
CARBON (2021)
Boron-nitrogen analogues of cyclo[18]carbon
Fabio Pichierri
CHEMICAL PHYSICS LETTERS (2020)
Spontaneous Symmetry Breaking in Cyclo[18]Carbon
Zenner S. Pereira et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2020)
Controllable Photophysical and Nonlinear Properties in Conformation Isomerization of Macrocyclic [32]Octaphyrin(1.0.1.0.1.0.1.0) Involving Huckel and Mobius Topologies
Zeyu Liu et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2020)
Diverse Transport Behaviors in Cyclo[18]carbon-Based Molecular Devices
Lishu Zhang et al.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2020)
Achieving Adaptive Aromaticity in Cyclo[10]carbon by Screening Cyclo[n]carbon (n=8-24)
Chenshu Dai et al.
CHEMISTRY-AN ASIAN JOURNAL (2020)
Optical Properties of Novel Conjugated Nanohoops: Revealing the Effects of Topology and Size
Zeyu Liu et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2020)
Synthesis of Cyclo[18]carbon via Debromination of C18Br6
Lorel M. Scriven et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2020)
An sp-hybridized all-carboatomic ring, cyclo[18]carbon: Bonding character, electron delocalization, and aromaticity
Zeyu Liu et al.
CARBON (2020)
An sp-hybridized all-carboatomic ring, cyclo[18]carbon: Electronic structure, electronic spectrum, and optical nonlinearity
Zeyu Liu et al.
CARBON (2020)
Cyclo[18]carbon: the smallest all-carbon electron acceptor
Anton J. Stasyuk et al.
CHEMICAL COMMUNICATIONS (2020)
Aromaticity of and Mobius Topologies Involved in Conformation Conversion of Macrocyclic [32]Octaphyrin(1.0.1.0.1.0.1.0): Refined Evidence from Multiple Visual Criteria
Zeyu Liu et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2019)
An sp-hybridized molecular carbon allotrope, cyclo[18]carbon
Katharina Kaiser et al.
SCIENCE (2019)
A DNA Switch for Detecting Single Nucleotide Polymorphism within a Long DNA Sequence Under Denaturing Conditions
Wenqing Zhang et al.
CHEMISTRY-A EUROPEAN JOURNAL (2019)
Cyclo[18]carbon: Insight into Electronic Structure, Aromaticity, and Surface Coupling
Glib V. Baryshnikov et al.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2019)
Cyclo[18]carbon, the Newest Member of the Family of Carbon Allotropes
Michael M. Haley
CHEM (2019)
A complete characterization of vibrational IR and Raman spectra of the highly-symmetrical octathia[8]circulene
Valentina Minaeva et al.
VIBRATIONAL SPECTROSCOPY (2019)
Software update: the ORCA program system, version 4.0
Frank Neese
WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE (2018)
Synthesis of a carbon nanobelt
Guillaume Povie et al.
SCIENCE (2017)
Design and Synthesis of Carbon Nanotube Segments
Yasutomo Segawa et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2016)
Aiming at an accurate prediction of vibrational and electronic spectra for medium-to-large molecules: An overview
Julien Bloino et al.
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY (2016)
Theoretical investigation of the topology and metalation effects on the first hyperpolarizability of rosarins
Zeyu Liu et al.
CHEMICAL PHYSICS LETTERS (2015)
Structure and spectroscopic characterization of tetrathia- and tetraselena[8]circulenes as a new class of polyaromatic heterocycles
Valentina A. Minaeva et al.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY (2015)
The Nature of One-Dimensional Carbon: Polyynic versus Cumulenic
Christian Neiss et al.
CHEMPHYSCHEM (2014)
Fully anharmonic IR and Raman spectra of medium-size molecular systems: accuracy and interpretation
Vincenzo Barone et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2014)
A comparative study of the electronic structure and spectra of tetraoxa[8]circulene and octathio[8]circulene
N. N. Karaush et al.
OPTICS AND SPECTROSCOPY (2014)
Long-Range Corrected Hybrid Density Functionals with Improved Dispersion Corrections
You-Sheng Lin et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2013)
Anharmonic Vibrational Frequency Calculations Are Not Worthwhile for Small Basis Sets
Ruth L. Jacobsen et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2013)
The FTIR spectra of substituted tetraoxa[8]circulenes and their assignments based on DFT calculations
Valentina A. Minaeva et al.
VIBRATIONAL SPECTROSCOPY (2013)
Raman spectra of tetraoxa[8]circulenes. p-dinaphthalenodiphenylenotetrafuran and its tetraalkyl derivatives (DFT study and experiment)
V. A. Minaeva et al.
JOURNAL OF APPLIED SPECTROSCOPY (2012)
Multiwfn: A multifunctional wavefunction analyzer
Tian Lu et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2012)
Graphyne: Hexagonal network of carbon with versatile Dirac cones
Bog G. Kim et al.
PHYSICAL REVIEW B (2012)
Experimental and theoretical study of IR and Raman spectra of tetraoxa[8]circulenes
Valentina A. Minaeva et al.
VIBRATIONAL SPECTROSCOPY (2012)
All-Carbon Scaffolds by Rational Design
Francois Diederich et al.
ADVANCED MATERIALS (2010)
Harmonic and Anharmonic Vibrational Frequency Calculations with the Double-Hybrid B2PLYP Method: Analytic Second Derivatives and Benchmark Studies
Malgorzata Biczysko et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2010)
Computational Thermochemistry: Scale Factor Databases and Scale Factors for Vibrational Frequencies Obtained from Electronic Model Chemistries
I. M. Alecu et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2010)
Comparison of two efficient approximate Hartee-Fock approaches
Simone Kossmann et al.
CHEMICAL PHYSICS LETTERS (2009)
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)
Long-range corrected hybrid density functionals with damped atom-atom dispersion corrections
Jeng-Da Chai et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2008)
Molecular loops and belts
Kazukuni Tahara et al.
CHEMICAL REVIEWS (2006)
Systematically convergent basis sets for transition metals. II. Pseudopotential-based correlation consistent basis sets for the group 11 (Cu, Ag, Au) and 12 (Zn, Cd, Hg) elements
KA Peterson et al.
THEORETICAL CHEMISTRY ACCOUNTS (2005)
Quantum mechanical continuum solvation models
J Tomasi et al.
CHEMICAL REVIEWS (2005)
The prediction of Raman spectra of platinum(II) anticancer drugs by density functional theory
D Michalska et al.
CHEMICAL PHYSICS LETTERS (2005)
Anharmonic vibrational properties by a fully automated second-order perturbative approach
V Barone
JOURNAL OF CHEMICAL PHYSICS (2005)
Balanced basis sets of split valence, triple zeta valence and quadruple zeta valence quality for H to Rn: Design and assessment of accuracy
F Weigend et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2005)
Electric field effect in atomically thin carbon films
KS Novoselov et al.
SCIENCE (2004)
A synthesis of sumanene, a fullerene fragment
H Sakurai et al.
SCIENCE (2003)
A rational chemical synthesis of C60
LT Scott et al.
SCIENCE (2002)
Electron correlation in C4N+2 carbon rings:: Aromatic versus dimerized structures
T Torelli et al.
PHYSICAL REVIEW LETTERS (2000)