|
1.
|
Papers
|
A model of ionization-induced reactions in CH4/N2 clusters in Titan's atmosphere: theoretical insights into mono- and divalent states
(Single)
2024/05
|
|
2.
|
Papers
|
Theoretical Insights into a Novel Ion−Ion Reaction of Methane in the Initial Stages of Hydrocarbon Growth in Space
(Single)
2024
|
|
3.
|
Papers
|
Dynamic Effects on the Ionization-Induced Reactions of Methyl Halides: Quantum Mechanical and Molecular Dynamics Studies.
(Single)
2023
|
|
4.
|
Papers
|
Dynamic Effects of the Bridged Structure on the Quantum Yield of the Cis->Trans Photoisomerization of Azobenzene
(Single)
2022
|
|
5.
|
Papers
|
Density Functional Study of sigma Bond Cleavage in P-P Multiple Bond of Phosphinophosphinidene
(Collaboration)
2021
|
|
6.
|
Papers
|
Dynamic Effects on the Product Distribution of the Photoreaction of s-cis-1,3-Butadiene: A Nonadiabatic Molecular Dynamics Study
(Single)
2021
|
|
7.
|
Papers
|
QM- and ONIOM-Molecular Dynamics Studies of the SN2 Reaction. How Does the Rare Event Take Place?
(Single)
2020
|
|
8.
|
Papers
|
Highly active, homogeneous catalysis by polyoxometalate-assisted N-heterocyclic carbene gold(I) complexes for hydration of diphenylacetylene
(Collaboration)
2019
|
|
9.
|
Papers
|
B≡B Triple Bond of Newly Synthesized Diboryne Can Take a Different Mechanism for the σ Bond Activation of Polar and Nonpolar Molecules. A Quantum Mechanical Study
(Collaboration)
2018
|
|
10.
|
Papers
|
Polyoxometalate-Assisted, One-Pot Synthesis of A Pentakis{(triphenylphosphane)gold}ammonium(2+) Cation Containing Regular Trigonal Bipyramidal Geometries of Five Bonds to Nitrogen
(Collaboration)
2018
|
|
11.
|
Papers
|
An Insight into the Driving Force of the σ Bond Cleavage on the Ge=O Bond of Germanone by the Combination of the Quantum Mechanical and Molecular Dynamics Methods
(Single)
2017
|
|
12.
|
Papers
|
An insight into the fluctuation of the energy of the molecule
(Single)
2017
|
|
13.
|
Papers
|
Theoretical Study of the Heterolytic σ Bond Cleavage on the Ge=O Bond of Germanone. An Insight into the Driving Force from both Electronic and Dynamical Aspects.
(Collaboration)
2017
|
|
14.
|
Papers
|
Quantum Mechanical and Molecular Dynamics Studies of the Reaction Mechanism of the Nucleophilic Substitution at the Si Atom
(Collaboration)
2016
|
|
15.
|
Papers
|
Computational Study of the Effects of the Steric Hindrance on the Amide Bond Cleavage
(Collaboration)
2014
|
|
5 display
|
|
All display(15)
|
