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

Spontaneous Symmetry Breaking in Cyclo[18]Carbon

(2020) Zenner S. Pereira et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Diverse Transport Behaviors in Cyclo[18]carbon–based Molecular Devices

(2020) Lishu Zhang et al.   Journal of Physical Chemistry Letters

A simple method of identifying π orbitals for non-planar systems and a protocol of studying π electronic structure

(2020) Tian Lu et al.   THEORETICAL CHEMISTRY ACCOUNTS

Optical Properties of Novel Conjugated Nanohoops: Revealing the Effects of Topology and Size

(2020) Zeyu Liu et al.   Journal of Physical Chemistry C

The molecular structure, spectroscopic features and electronic properties of tioxolone under the external electric field

(2020) Yaping Tao et al.   SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY

Synthesis of Cyclo[18]carbon via Debromination of C18Br6

(2020) Lorel M. Scriven et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Electric-Field Mediated Chemistry: Uncovering and Exploiting the Potential of (Oriented) Electric Fields to Exert Chemical Catalysis and Reaction Control

(2020) Sason Shaik et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Tuning the optical properties of (TiO2)2 via the electric field

(2020) Xiangyun Zhang et al.   OPTIK

Theoretical Study on CL-20-Based Cocrystal Energetic Compounds in an External Electric Field

(2020) Lina Hao et al.   ACS Omega

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

(2020) Zeyu Liu et al.   CARBON

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

(2020) Zeyu Liu et al.   CARBON

A density functional theory and information-theoretic approach study of chiral molecules in external electric fields

(2020) Jie Chen et al.   CHEMICAL PHYSICS LETTERS

van der Waals potential: an important complement to molecular electrostatic potential in studying intermolecular interactions

(2020) Tian Lu et al.   JOURNAL OF MOLECULAR MODELING

Cyclo[18]carbon as an ultra-elastic molecular O-ring with unique mechanical properties

(2020) Siyuan Fang 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

External electric field effects on chemical structure and reactivity

(2019) Thijs Stuyver et al.   Wiley Interdisciplinary Reviews-Computational Molecular Science

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

Cyclo[18]carbon, the Newest Member of the Family of Carbon Allotropes

(2019) Michael M. Haley   Chem

Carbon Tunneling in the Automerization of Cyclo[18]carbon

(2019) Ashim Nandi et al.   CHEMISTRY-A EUROPEAN JOURNAL

Controllable Photophysical and Nonlinear Properties in Conformation Isomerization of Macrocyclic [32]Octaphyrin(1.0.1.0.1.0.1.0) Involving Hückel and Möbius Topologies

(2019) Zeyu Liu et al.   Journal of Physical Chemistry C

Structure and reactivity/selectivity control by oriented-external electric fields

(2018) Sason Shaik et al.   CHEMICAL SOCIETY REVIEWS

Stimulating intra- and intermolecular charge transfer and nonlinear optical response for biphenalenyl biradicaloid dimer under an external electric field

(2018) Feng-Wei Gao et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Phenalenyl π-Dimer under the External Electric Field: Two-Electron/12-Center Bonding Breaking and Emergence of Electrostatic Interaction

(2017) Feng-Wei Gao et al.   Journal of Physical Chemistry C

Highly Tunable Electronic Structures of Phosphorene/Carbon Nanotube Heterostructures through External Electric Field and Atomic Intercalation

(2017) Xiao-Qing Tian et al.   NANO LETTERS

Intriguing properties of unusual silicon nanocrystals

(2015) Sergio Manzetti et al.   RSC Advances

Revealing the nature of intermolecular interaction and configurational preference of the nonpolar molecular dimers (H2)2, (N2)2, and (H2)(N2)

(2013) Tian Lu et al.   JOURNAL OF MOLECULAR MODELING

Bond Order Analysis Based on the Laplacian of Electron Density in Fuzzy Overlap Space

(2013) Tian Lu et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Alternant conjugated oligomers with tunable and narrow HOMO–LUMO gaps as sustainable nanowires

(2013) Sergio Manzetti et al.   RSC Advances

Mind the gap!

(2013) Jean-Luc Bredas   Materials Horizons

ATOMIC DIPOLE MOMENT CORRECTED HIRSHFELD POPULATION METHOD

(2012) TIAN LU et al.   JOURNAL OF THEORETICAL & COMPUTATIONAL CHEMISTRY

Multiwfn: A multifunctional wavefunction analyzer

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

Electric Field-Driven Acid−Base Chemistry: Proton Transfer from Acid (HCl) to Base (NH3/H2O)

(2011) Zhong-Jun Zhou et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Carbon nanotubes in electric and magnetic fields

(2011) Jelena Klinovaja et al.   PHYSICAL REVIEW B

Carbon Nanotubes Oscillation under Electric Field

(2010) Mohammad Khazaei et al.   JAPANESE JOURNAL OF APPLIED PHYSICS

Splitting CO2 with Electric Fields: A Computational Investigation

(2010) M. Calvaresi et al.   Journal of Physical Chemistry Letters

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

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

Half-metallic graphene nanodots: A comprehensive first-principles theoretical study

(2008) Oded Hod et al.   PHYSICAL REVIEW B