Theoretical insight into the aggregation induced emission phenomena of diphenyldibenzofulvene: a nonadiabatic molecular dynamics study

Fabrication of Silica Nanoparticles with Both Efficient Fluorescence and Strong Magnetization and Exploration of Their Biological Applications

(2011) Faisal Mahtab et al.   ADVANCED FUNCTIONAL MATERIALS

Cytophilic Fluorescent Bioprobes for Long-Term Cell Tracking

(2011) Yong Yu et al.   ADVANCED MATERIALS

Aggregation-induced emission

(2011) Yuning Hong et al.   CHEMICAL SOCIETY REVIEWS

Time-dependent density functional theory excited state nonadiabatic dynamics combined with quantum mechanical/molecular mechanical approach: Photodynamics of indole in water

(2011) Matthias Wohlgemuth et al.   JOURNAL OF CHEMICAL PHYSICS

Regarding the validity of the time-dependent Kohn–Sham approach for electron-nuclear dynamics via trajectory surface hopping

(2011) Sean A. Fischer et al.   JOURNAL OF CHEMICAL PHYSICS

Photoisomerization mechanism of 4-methylpyridine explored by electronic structure calculations and nonadiabatic dynamics simulations

(2011) Jun Cao et al.   JOURNAL OF CHEMICAL PHYSICS

The decay mechanism of photoexcited guanine − A nonadiabatic dynamics study

(2011) Mario Barbatti et al.   JOURNAL OF CHEMICAL PHYSICS

Theoretical study of radiative and non-radiative decay processes in pyrazine derivatives

(2011) Chunmei Deng et al.   JOURNAL OF CHEMICAL PHYSICS

Surface Hopping Excited-State Dynamics Study of the Photoisomerization of a Light-Driven Fluorene Molecular Rotary Motor

(2011) Andranik Kazaryan et al.   Journal of Chemical Theory and Computation

Ab Initio Trajectory Surface-Hopping Study on Ultrafast Deactivation Process of Thiophene

(2011) Ganglong Cui et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Ab Initio Based Surface-Hopping Dynamics Study on Ultrafast Internal Conversion in Cyclopropanone

(2011) Ganglong Cui et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Nonadiabatic Dynamics of Uracil: Population Split among Different Decay Mechanisms

(2011) Dana Nachtigallová et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Nonadiabatic Excited-State Molecular Dynamics Modeling of Photoinduced Dynamics in Conjugated Molecules

(2011) Tammie Nelson et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Chiral Pathways and Periodic Decay in cis-Azobenzene Photodynamics

(2011) Oliver Weingart et al.   Journal of Physical Chemistry Letters

Photodynamics and Time-Resolved Fluorescence of Azobenzene in Solution: A Mixed Quantum-Classical Simulation

(2011) Teresa Cusati et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Photodynamical simulations of cytosine: characterization of the ultrafast bi-exponential UV deactivation

(2011) Mario Barbatti et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Nonadiabatic dynamics with trajectory surface hopping method

(2011) Mario Barbatti   Wiley Interdisciplinary Reviews-Computational Molecular Science

Quantitation, Visualization, and Monitoring of Conformational Transitions of Human Serum Albumin by a Tetraphenylethene Derivative with Aggregation-Induced Emission Characteristics

(2010) Yuning Hong et al.   ANALYTICAL CHEMISTRY

Creation of highly efficient solid emitter by decorating pyrene core with AIE-active tetraphenylethene peripheries

(2010) Zujin Zhao et al.   CHEMICAL COMMUNICATIONS

Vibration correlation function formalism of radiative and non-radiative rates for complex molecules

(2010) Qian Peng et al.   CHEMICAL PHYSICS

Fabrication of Fluorescent Silica Nanoparticles Hybridized with AIE Luminogens and Exploration of Their Applications as Nanobiosensors in Intracellular Imaging

(2010) Mahtab Faisal et al.   CHEMISTRY-A EUROPEAN JOURNAL

Nonadiabatic ab Initio Dynamics of a Model Protonated Schiff Base of 9-cis Retinal

(2010) Wilfredo Credo Chung et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Theory of Excited State Decays and Optical Spectra: Application to Polyatomic Molecules

(2010) Yingli Niu et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Unidirectional Energy Transfer in Conjugated Molecules: The Crucial Role of High-Frequency C≡C Bonds

(2010) S. Fernandez-Alberti et al.   Journal of Physical Chemistry Letters

Recyclization Rate of a Photocleaved Peptide from Multiscale Simulation

(2010) Harald Nieber et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Fluorescent Chemosensor for Detection and Quantitation of Carbon Dioxide Gas

(2010) Yang Liu et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Specific Detection ofd-Glucose by a Tetraphenylethene-Based Fluorescent Sensor

(2010) Yi Liu et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

A superamplification effect in the detection of explosives by a fluorescent hyperbranched poly(silylenephenylene) with aggregation-enhanced emission characteristics

(2010) Jianzhao Liu et al.   Polymer Chemistry

Relaxation mechanisms of UV-photoexcited DNA and RNA nucleobases

(2010) M. Barbatti et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Molecular anchors in the solid state: Restriction of intramolecular rotation boosts emission efficiency of luminogen aggregates to unity

(2010) Zujin Zhao et al.   Chemical Science

Photoinduced Dynamics in Semiconductor Quantum Dots: Insights from Time-Domainab InitioStudies

(2009) Oleg V. Prezhdo   ACCOUNTS OF CHEMICAL RESEARCH

Sugar−Phosphole Oxide Conjugates as “Turn-on” Luminescent Sensors for Lectins

(2009) Takanobu Sanji et al.   ACS Applied Materials & Interfaces

Triarylamine: a promising core unit for efficient photovoltaic materials

(2009) Zhijun Ning et al.   CHEMICAL COMMUNICATIONS

Aggregation-induced emission: phenomenon, mechanism and applications

(2009) Yuning Hong et al.   CHEMICAL COMMUNICATIONS

Nonadiabatic ab Initio Dynamics of Two Models of Schiff Base Retinal†

(2009) Toshimasa Ishida et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Nonadiabatic Dynamics within Time-Dependent Density Functional Tight Binding Method†

(2009) Roland Mitrić et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Photoinduced Nonadiabatic Dynamics of Pyrimidine Nucleobases: On-the-Fly Surface-Hopping Study with Semiempirical Methods

(2009) Zhenggang Lan et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Photoinduced Thymine Dimerization Studied by Semiclassical Dynamics Simulation

(2009) Wenying Zhang et al.   Journal of Physical Chemistry C

Photoinduced electron dynamics at the chromophore–semiconductor interface: A time-domain ab initio perspective

(2009) Oleg V. Prezhdo et al.   PROGRESS IN SURFACE SCIENCE

Nonadiabatic dynamics within the time dependent density functional theory: Ultrafast photodynamics in pyrazine

(2008) Ute Werner et al.   CHEMICAL PHYSICS

Mixed time-dependent density-functional theory/classical trajectory surface hopping study of oxirane photochemistry

(2008) Enrico Tapavicza et al.   JOURNAL OF CHEMICAL PHYSICS

Detailed Dynamics of the Nonradiative Deactivation of Adenine: A Semiclassical Dynamics Study

(2008) Yibo Lei et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Nonadiabatic Deactivation of 9H-Adenine: A Comprehensive Picture Based on Mixed Quantum−Classical Dynamics

(2008) Mario Barbatti et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Continuous On-Site Label-Free ATP Fluorometric Assay Based on Aggregation-Induced Emission of Silole

(2008) Manchun Zhao et al.   LANGMUIR

Promoting-mode free formalism for excited state radiationless decay process with Duschinsky rotation effect

(2008) YingLi Niu et al.   Science in China. Series B, Chemistry