| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
A DFT evaluation of molecular reactivity of volatile organic compounds in support of chemical ionization mass spectrometry
|
Bhatia, Manjeet
|
|
|
1223 |
C |
p.
|
artikel
|
| 2 |
A DFT study of structural, electronic, optical, mechanical, thermoelectric, and magnetic properties of Pb-halide perovskites LiPbX3 (X = Cl, Br, and I) for photovoltaic applications
|
Awais Rehman, Muhammad
|
|
|
1223 |
C |
p.
|
artikel
|
| 3 |
A theoretical study of the functionalized carbon dots surfaces binding with silver nanostructures
|
Robein, Y.
|
|
|
1223 |
C |
p.
|
artikel
|
| 4 |
Competition and interplay between Hydrogen, Tetrel, and Halogen bonds from interactions of COCl2 and HX (X = F, Cl, Br, and I)
|
Moradkhani, Mohammadmehdi
|
|
|
1223 |
C |
p.
|
artikel
|
| 5 |
Editorial Board
|
|
|
|
1223 |
C |
p.
|
artikel
|
| 6 |
Electron density, charge transfer, solvent effect and molecular spectroscopic studies on 2,2-Dimethyl-N-pyridin-4-yl-propionamide – A potential antioxidant
|
Sumithra, M.
|
|
|
1223 |
C |
p.
|
artikel
|
| 7 |
Ga-doped AlN monolayer nano-sheets as promising materials for environmental sensing applications
|
Hussein, Tamadhur Alaa
|
|
|
1223 |
C |
p.
|
artikel
|
| 8 |
Nonlinear optical properties of superalkali@teetotum boron clusters with potential applications on the electro-optic modulator
|
Mohajeri, Afshan
|
|
|
1223 |
C |
p.
|
artikel
|
| 9 |
oeINDO: Efficient determination of excitation energies and UV–Vis absorption spectra of nano-sized Zn, Cd, S and their complexes
|
Oyeniyi, Ezekiel
|
|
|
1223 |
C |
p.
|
artikel
|
| 10 |
Pyrolysis mechanism of HFO-1234yf/iso-butane mixture: ReaxFF reactive molecular dynamic simulation study
|
Wang, Shukun
|
|
|
1223 |
C |
p.
|
artikel
|
| 11 |
Reaction mechanism and kinetics of H and Cl atom abstraction in Dichloromethane with OH radical
|
Mano Priya, Angappan
|
|
|
1223 |
C |
p.
|
artikel
|
| 12 |
Revisiting the hydrogen atom transfer reactions through a simple and accurate theoretical model: Role of hydrogen bond energy in polyphenolic antioxidants
|
Rohman, Rakiba
|
|
|
1223 |
C |
p.
|
artikel
|
| 13 |
Second leap hyper-Zagreb coindex of certain benzenoid structures and their polynomials
|
Sharma, Karnika
|
|
|
1223 |
C |
p.
|
artikel
|
| 14 |
Theoretical survey on the electronic, linear and nonlinear optical properties of substituted benzenes and polycondensed π-systems. A density functional theory study
|
Sani, Mahnaz Jabbarzadeh
|
|
|
1223 |
C |
p.
|
artikel
|
| 15 |
Vacancy on the surface of monolayer MoS2 to improve the sensitivity for DNA/RNA sequencing: A DFT study
|
Wang, Jie
|
|
|
1223 |
C |
p.
|
artikel
|
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