Related references
Note: Only part of the references are listed.Bond flexing, twisting, anharmonicity and responsivity for the infrared-active modes of benzene
Yong Yang et al.
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY (2021)
Bond-path-rigidity and bond-path-flexibility of the ground state and first excited state of fulvene
Binod Mahara et al.
CHEMICAL PHYSICS LETTERS (2021)
Fatigue and fatigue resistance in S1 excited state diarylethenes in electric fields
Xing Nie et al.
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY (2021)
Next-generation QTAIM for scoring molecular wires in E-fields for molecular electronic devices
Alireza Azizi et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2020)
3-D bond-paths of QTAIM and the stress tensor in neutral lithium clusters, Lim (m=2-5), presented on the Ehrenfest force molecular graph
Alireza Azizi et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2020)
Next generation QTAIM for the design of quinone-based switches
Tian Tian et al.
CHEMICAL PHYSICS LETTERS (2019)
Next-generation quantum theory of atoms in molecules for the photochemical ring-opening reactions of oxirane
Xin Bin et al.
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY (2019)
The destabilization of hydrogen bonds in an external E-field for improved switch performance
Tianlv Xu et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2019)
Extracting Design Principles for Efficient Thermally Activated Delayed Fluorescence (TADF) from a Simple Four-State Model
Piotr de Silva et al.
CHEMISTRY OF MATERIALS (2019)
The directional bonding of [1.1.1]propellane with next generation QTAIM
Xin Bin et al.
CHEMICAL PHYSICS LETTERS (2019)
Stress Tensor Eigenvector Following with Next-Generation Quantum Theory of Atoms in Molecules: Excited State Photochemical Reaction Path from Benzene to Benzvalene
Thomas Malcomson et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2019)
Inverted Singlet-Triplet Gaps and Their Relevance to Thermally Activated Delayed Fluorescence
Piotr de Silva
JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2019)
OpenMolcas: From Source Code to Insight
Ignacio Fdez Galvan et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2019)
Next-generation quantum theory of atoms in molecules for the ground and excited state of DHCL
Tian Tian et al.
CHEMICAL PHYSICS LETTERS (2019)
Next-generation quantum theory of atoms in molecules for the ground and excited state of the ring-opening of cyclohexadiene
Tian Tian et al.
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY (2019)
A 3-D bonding perspective of the factors influencing the relative stability of the S1/S0 conical intersections of the penta-2,4-dieniminium cation (PSB3)
Xin Bin et al.
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY (2019)
Inverting singlet and triplet excited states using strong light-matter coupling
Elad Eizner et al.
SCIENCE ADVANCES (2019)
The theory of thermally activated delayed fluorescence for organic light emitting diodes
T. J. Penfold et al.
CHEMICAL COMMUNICATIONS (2018)
Nonadiabatic dynamics: The SHARC approach
Sebastian Mai et al.
WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE (2018)
Solvent-dependent investigation of carbazole benzonitrile derivatives: does the 3LE - 1CT energy gap facilitate thermally activated delayed fluorescence?
Takuya Hosokai et al.
JOURNAL OF PHOTONICS FOR ENERGY (2018)
Thermally Activated Delayed Fluorescence (TADF) Path toward Efficient Electroluminescence in Purely Organic Materials: Molecular Level Insight
Xian-Kai Chen et al.
ACCOUNTS OF CHEMICAL RESEARCH (2018)
Achieving Efficient Triplet Exciton Utilization with Large Delta E-ST and Nonobvious Delayed Fluorescence by Adjusting Excited State Energy Levels
Lin Gan et al.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2018)
Computational Design of Thermally Activated Delayed Fluorescence Materials: The Challenges Ahead
Y. Olivier et al.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2018)
Photophysics of thermally activated delayed fluorescence molecules
Fernando B. Dias et al.
METHODS AND APPLICATIONS IN FLUORESCENCE (2017)
Nature of the singlet and triplet excitations mediating thermally activated delayed fluorescence
Y. Olivier et al.
PHYSICAL REVIEW MATERIALS (2017)
Prediction of Excited-State Energies and Singlet Triplet Gaps of Charge-Transfer States Using a Restricted Open-Shell Kohn-Sham Approach
Diptarka Hait et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2016)
Understanding the Fluorescence of TADF Light-Emitting Dyes
Georgi Valchanov et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2016)
Rational Design of TADF Polymers Using a Donor-Acceptor Monomer with Enhanced TADF Efficiency Induced by the Energy Alignment of Charge Transfer and Local Triplet Excited States
Roberto S. Nobuyasu et al.
ADVANCED OPTICAL MATERIALS (2016)
The Role of Local Triplet Excited States and D-A Relative Orientation in Thermally Activated Delayed Fluorescence: Photophysics and Devices
Fernando B. Dias et al.
ADVANCED SCIENCE (2016)
Reliable Prediction with Tuned Range-Separated Functionals of the Singlet-Triplet Gap in Organic Emitters for Thermally Activated Delayed Fluorescence
Haitao Sun et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2015)
On Predicting the Excited-State Properties of Thermally Activated Delayed Fluorescence Emitters
Thomas J. Penfold
JOURNAL OF PHYSICAL CHEMISTRY C (2015)
Understanding the Control of Singlet-Triplet Splitting for Organic Exciton Manipulating: A Combined Theoretical and Experimental Approach
Ting Chen et al.
SCIENTIFIC REPORTS (2015)
A light-emitting mechanism for organic light-emitting diodes: molecular design for inverted singlet-triplet structure and symmetry-controlled thermally activated delayed fluorescence
Tohru Sato et al.
JOURNAL OF MATERIALS CHEMISTRY C (2015)
Theoretical Rationalization of the Singlet-Triplet Gap in OLEDs Materials: Impact of Charge-Transfer Character
M. Moral et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2015)
Advances in molecular quantum chemistry contained in the Q-Chem 4 program package
Yihan Shao et al.
MOLECULAR PHYSICS (2015)
Computational Prediction for Singlet- and Triplet-Transition Energies of Charge-Transfer Compounds
Shuping Huang et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2013)
Highly efficient organic light-emitting diodes from delayed fluorescence
Hiroki Uoyama et al.
NATURE (2012)
Mayavi: 3D Visualization of Scientific Data
Prabhu Ramachandran et al.
COMPUTING IN SCIENCE & ENGINEERING (2011)
Including quantum decoherence in surface hopping
Giovanni Granucci et al.
JOURNAL OF CHEMICAL PHYSICS (2010)
An electron-preceding perspective on the deformation of materials
Paul W. Ayers et al.
JOURNAL OF CHEMICAL PHYSICS (2009)
Bond Paths Are Not Chemical Bonds
Richard F. W. Bader
JOURNAL OF PHYSICAL CHEMISTRY A (2009)
On the singlet-triplet splitting of geminate electron-hole pairs in organic semiconductors
Seth Difley et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2008)
Dependence of the normal modes on the electronic structure of various phases of ice as calculated by ab initio methods
SR Jenkins et al.
CANADIAN JOURNAL OF PHYSICS (2003)
Share Paper
