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Physical Chemistry Chemical Physics : PCCP
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May 8, 2012
An elongation method for large systems toward bio-systems
Yuriko Aoki, Feng Long Gu
Physical Chemistry Chemical Physics : PCCP
|
August 15, 2013
Effective preconditioning for ab initio ground state energy minimization with non-orthogonal localized molecular orbitals
Liang Peng, Feng Long Gu, Weitao Yang
Journal of Hazardous Materials
|
May 27, 2014
Efficient adsorption and photocatalytic degradation of Rhodamine B under visible light irradiation over BiOBr/montmorillonite composites
Chengqun Xu, Honghai Wu, Feng Long Gu
Physical Chemistry Chemical Physics : PCCP
|
April 20, 2021
Tuning the first hyperpolarizability of hexaphyrins with different connections of mislinked pyrrole units: a theoretical study
Bo Li, Palanivel Sathishkumar, Feng Long Gu
Physical Chemistry Chemical Physics : PCCP
|
February 3, 2018
Ultrafast intersystem crossing for nitrophenols: ab initio nonadiabatic molecular dynamics simulation
Chao Xu, Feng Long Gu, Chaoyuan Zhu
The Journal of Physical Chemistry. A
|
February 19, 2025
Nonlinear Optics Materials Designed by Intramolecular Boron- and Nitrogen-Locking Strategies: Exploring Torsion Angle Descriptors
Bo Li, Shichen Lin, Feng Long Gu
Physical Chemistry Chemical Physics : PCCP
|
October 10, 2017
A DFT study on the mechanism of photoselective catalytic reduction of 4-bromobenzaldehyde in different solvents employing an OH-defected TiO<sub>2</sub> cluster model
Hanlin Gan, Liang Peng, Feng Long Gu
Physical Chemistry Chemical Physics : PCCP
|
April 2, 2024
Intramolecular boron-locking strategy induced remarkable first hyperpolarizability: role of torsion angles between donor and acceptor units
Bo Li, Shichen Lin, Feng Long Gu
Physical Chemistry Chemical Physics : PCCP
|
June 30, 2020
Unraveling the enhancement mechanisms of H<sub>2</sub>S sensing on a SnO<sub>2</sub> surface: an ab initio perspective
Yuting Liu, Chao Xu, Feng Long Gu
Physical Chemistry Chemical Physics : PCCP
|
August 24, 2018
An excited-state Wolff rearrangement reaction of 5-diazo Meldrum's acid: an ab initio on-the-fly nonadiabatic dynamics simulation
Chao Xu, Feng Long Gu, Chaoyuan Zhu
Page
of 9
Search research articles
Search
Showing results (1-10 of 85) with videos related to
Sort By:
Page
of 9
Physical Chemistry Chemical Physics : PCCP
|
May 8, 2012
An elongation method for large systems toward bio-systems
Yuriko Aoki, Feng Long Gu
Physical Chemistry Chemical Physics : PCCP
|
August 15, 2013
Effective preconditioning for ab initio ground state energy minimization with non-orthogonal localized molecular orbitals
Liang Peng, Feng Long Gu, Weitao Yang
Journal of Hazardous Materials
|
May 27, 2014
Efficient adsorption and photocatalytic degradation of Rhodamine B under visible light irradiation over BiOBr/montmorillonite composites
Chengqun Xu, Honghai Wu, Feng Long Gu
Physical Chemistry Chemical Physics : PCCP
|
April 20, 2021
Tuning the first hyperpolarizability of hexaphyrins with different connections of mislinked pyrrole units: a theoretical study
Bo Li, Palanivel Sathishkumar, Feng Long Gu
Physical Chemistry Chemical Physics : PCCP
|
February 3, 2018
Ultrafast intersystem crossing for nitrophenols: ab initio nonadiabatic molecular dynamics simulation
Chao Xu, Feng Long Gu, Chaoyuan Zhu
The Journal of Physical Chemistry. A
|
February 19, 2025
Nonlinear Optics Materials Designed by Intramolecular Boron- and Nitrogen-Locking Strategies: Exploring Torsion Angle Descriptors
Bo Li, Shichen Lin, Feng Long Gu
Physical Chemistry Chemical Physics : PCCP
|
October 10, 2017
A DFT study on the mechanism of photoselective catalytic reduction of 4-bromobenzaldehyde in different solvents employing an OH-defected TiO<sub>2</sub> cluster model
Hanlin Gan, Liang Peng, Feng Long Gu
Physical Chemistry Chemical Physics : PCCP
|
April 2, 2024
Intramolecular boron-locking strategy induced remarkable first hyperpolarizability: role of torsion angles between donor and acceptor units
Bo Li, Shichen Lin, Feng Long Gu
Physical Chemistry Chemical Physics : PCCP
|
June 30, 2020
Unraveling the enhancement mechanisms of H<sub>2</sub>S sensing on a SnO<sub>2</sub> surface: an ab initio perspective
Yuting Liu, Chao Xu, Feng Long Gu
Physical Chemistry Chemical Physics : PCCP
|
August 24, 2018
An excited-state Wolff rearrangement reaction of 5-diazo Meldrum's acid: an ab initio on-the-fly nonadiabatic dynamics simulation
Chao Xu, Feng Long Gu, Chaoyuan Zhu
Page
of 9