The structural and photophysical properties of multibranched derivatives with curved conjugated aromatic cores

Electronic transport properties of selected carbon π-bowls with different size, curvature and solid state packing

(2015) Bao-Tian Wang et al.   CARBON

Structural, nonlinear optical, and vibration properties of the C40H10buckybowl modified with nitrogen atoms

(2015) Weiqi Li et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Experimental and theoretical investigation of the first-order hyperpolarizability of a class of triarylamine derivatives

(2015) Daniel L. Silva et al.   JOURNAL OF CHEMICAL PHYSICS

Reliable Prediction with Tuned Range-Separated Functionals of the Singlet–Triplet Gap in Organic Emitters for Thermally Activated Delayed Fluorescence

(2015) Haitao Sun et al.   Journal of Chemical Theory and Computation

Interlayer charge-transfer in impacting the second hyperpolarizabilities: Radical and cation species of hexathiophenalenylium and its nitro dimers

(2015) Li Wang et al.   JOURNAL OF MOLECULAR GRAPHICS & MODELLING

Intramolecular Cooperative Effects in Multichromophoric Cavitands Exhibiting Nonlinear Optical Properties

(2015) Zsolt Csók et al.   Journal of Physical Chemistry C

Interpreting the First-Order Electronic Hyperpolarizability for a Series of Octupolar Push–Pull Triarylamine Molecules Containing Trifluoromethyl

(2015) Marcelo G. Vivas et al.   Journal of Physical Chemistry C

Third order NLO properties of corannulene and its Li-doped dimers: effect of concave–convex and convex–convex structures

(2015) Li Wang et al.   RSC Advances

Structure–Property Relationships of Curved Aromatic Materials from First Principles

(2014) Laura Zoppi et al.   ACCOUNTS OF CHEMICAL RESEARCH

Evaluation of the Linear and Second-Order NLO Properties of Molecular Crystals within the Local Field Theory: Electron Correlation Effects, Choice of XC Functional, ZPVA Contributions, and Impact of the Geometry in the Case of 2-Methyl-4-nitroaniline

(2014) Tomasz Seidler et al.   Journal of Chemical Theory and Computation

Force field development for organic molecules: Modifying dihedral and 1-npair interaction parameters

(2014) Siyan Chen et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Aromaticity, response, and nonlinear optical properties of sumanene modified with boron and nitrogen atoms

(2014) Stevan Armaković et al.   JOURNAL OF MOLECULAR MODELING

Large Nonlinear Optical Responses of Dimers Bearing a Donor and Acceptor: Long, Intradimer Multicenter Bonding

(2014) Wen-Yong Wang et al.   Journal of Physical Chemistry C

Synthesis of Bioconjugated sym-Pentasubstituted Corannulenes: Experimental and Theoretical Investigations of Supramolecular Architectures

(2013) Martin Mattarella et al.   BIOCONJUGATE CHEMISTRY

Heptametallic, Octupolar Nonlinear Optical Chromophores with Six Ferrocenyl Substituents

(2013) Benjamin J. Coe et al.   CHEMISTRY-A EUROPEAN JOURNAL

Multichromophoric Calix[4]arenes: Effect of Interchromophore Distances on Linear and Nonlinear Optical Properties

(2012) Raquel Andreu et al.   CHEMPHYSCHEM

Structural, Optical, and Electrochemical Properties of Three-Dimensional Push–Pull Corannulenes

(2012) Yi-Lin Wu et al.   JOURNAL OF ORGANIC CHEMISTRY

Buckyplates and Buckybowls: Examining the Effects of Curvature on π–π Interactions

(2012) Matthew R. Kennedy et al.   JOURNAL OF PHYSICAL CHEMISTRY A

A new scheme for significant enhancement of the second order nonlinear optical response from molecules to ordered aggregates

(2012) Weiqi Li et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Octupolar Films with Large Second Harmonic Generation and Electro-Optical Effects

(2011) Mi-Yun Jeong et al.   ADVANCED FUNCTIONAL MATERIALS

Convex–concave stacking of curved conjugated networks: Benchmark calculations on the corannulene dimer

(2011) Tomasz Janowski et al.   CHEMICAL PHYSICS LETTERS

Modeling nonlinear optics of nanosystems with sum-over-states model

(2011) Wei Quan Tian   JOURNAL OF COMPUTATIONAL CHEMISTRY

Quantum Chemical Study of Redox-Switchable Second-Order Nonlinear Optical Responses of D−π–A System BNbpy and Metal Pt(II) Chelate Complex

(2011) Na-Na Ma et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Effect of Molecular Packing on Corannulene-Based Materials Electroluminescence

(2011) Laura Zoppi et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

The Roles of Molecular Structure and Effective Optical Symmetry in Evolving Dipolar Chromophoric Building Blocks to Potent Octopolar Nonlinear Optical Chromophores

(2011) Tomoya Ishizuka et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

A Short, Rigid, Structurally Pure Carbon Nanotube by Stepwise Chemical Synthesis

(2011) Lawrence T. Scott et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Tuned Range-Separated Hybrids in Density Functional Theory

(2010) Roi Baer et al.   Annual Review of Physical Chemistry

Position Isomerism on One and Two Photon Absorption in Multibranched Chromophores: A TDDFT Investigation

(2010) Claudine Katan et al.   Journal of Chemical Theory and Computation

Optoelectronic and Excitonic Properties of Oligoacenes: Substantial Improvements from Range-Separated Time-Dependent Density Functional Theory

(2010) Bryan M. Wong et al.   Journal of Chemical Theory and Computation

Second-order nonlinear optical properties of octupolar molecules structure–property relationship

(2009) Hwan Myung Kim et al.   JOURNAL OF MATERIALS CHEMISTRY

Second-Order Nonlinear Optical (NLO) Properties of a Multichromophoric System Based on an Ensemble of Four Organic NLO Chromophores Nanoorganized on a Cyclotetrasiloxane Architecture

(2009) Marco Ronchi et al.   Journal of Physical Chemistry C

Aromatic π-Systems More Curved Than C60. The Complete Family of All Indenocorannulenes Synthesized by Iterative Microwave-Assisted Intramolecular Arylations

(2009) Brian D. Steinberg et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Diverse Functionalization of Corannulene: Easy Access to Pentagonal Superstructure

(2009) Doron Pappo et al.   ORGANIC LETTERS

Theoretical investigation of nitrogen disubstituted corannulenes

(2008) Pablo A. Denis   JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM

Computational Study on Second-Order Nonlinear Response of a Series of Two-Dimensional Carbazole-Cored Chromophores

(2008) Chun-Guang Liu et al.   Journal of Physical Chemistry C

Multiethynyl Corannulenes: Synthesis, Structure, and Properties

(2008) Yao-Ting Wu et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Liquid Crystalline Corannulene Responsive to Electric Field

(2008) Daigo Miyajima et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY