| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
A faster computational frame work for dye design and screening: A goal to achieve higher ionization energy
|
Naeem, Sumaira
|
|
|
871 |
C |
p.
|
artikel
|
| 2 |
Chemisorption and physisorption of an H atom on a graphenic surface: Interaction potential and sticking probabilities
|
Dhiman, Mukul
|
|
|
871 |
C |
p.
|
artikel
|
| 3 |
Contents continued
|
|
|
|
871 |
C |
p.
|
artikel
|
| 4 |
Corrigendum to “Synthesis of exfoliate bentonite/cellulose nanocomposite as a delivery system for Oxaliplatin drug with enhanced loading and release properties; cytotoxicity and pharmacokinetic studies” [Chemical Physics Letters 755 (2020) 137818]
|
Abukhadra, Mostafa R.
|
|
|
871 |
C |
p.
|
artikel
|
| 5 |
Editorial Board
|
|
|
|
871 |
C |
p.
|
artikel
|
| 6 |
Evaluating the protein–protein binding via the fast pulling of ligand scheme
|
Nguyen, Hoang Anh
|
|
|
871 |
C |
p.
|
artikel
|
| 7 |
Examination of potential of Si52, C52, Al26P26 nanocages and their halogen doped derivatives as anodes in metal-ion battery
|
Zhang, Ming
|
|
|
871 |
C |
p.
|
artikel
|
| 8 |
Exploring the optoelectronic, elastic, and transport properties of XSbTe3 (X = Dy, Sm) for next-generation energy materials: A first-principles study
|
Gul, Banat
|
|
|
871 |
C |
p.
|
artikel
|
| 9 |
Field-free molecular orientation steered by the intense resonant slowly-turned-on and rapidly-turned-off two-color laser pulses
|
Yang, Zhi-Xin
|
|
|
871 |
C |
p.
|
artikel
|
| 10 |
Graphical abstract TOC
|
|
|
|
871 |
C |
p.
|
artikel
|
| 11 |
Graphical abstract TOC
|
|
|
|
871 |
C |
p.
|
artikel
|
| 12 |
On the forward-backward symmetry of reversible thermoneutral unimolecular reactions
|
Li, Jiaqing
|
|
|
871 |
C |
p.
|
artikel
|
| 13 |
On the structures, electronic properties, and hydrogen dissociation of the noble-metal-free molybdenum carbide clusters
|
Zhang, Yao
|
|
|
871 |
C |
p.
|
artikel
|
| 14 |
Spectroscopic properties and anharmonic force field of furan (C4H4O) and methylfuran (C5H6O): A DFT study
|
Rao, Jinhua
|
|
|
871 |
C |
p.
|
artikel
|
| 15 |
The application of Dyall Hamiltonian-based MRPT2 in high-lying electronically excited state calculations
|
Li, Yiyao
|
|
|
871 |
C |
p.
|
artikel
|
| 16 |
Theoretical study of the antioxidant capacity of polyphenols against the DPPH radical. An approach from the spin – Polarized density functional theory (SP – DFT)
|
Muñoz-Espinoza, José
|
|
|
871 |
C |
p.
|
artikel
|
| 17 |
Thermochemical and kinetics investigation of elementary reactions to produce acetonitrile (CH3CN) in Titan’s atmosphere
|
Vieira, Isabela S.
|
|
|
871 |
C |
p.
|
artikel
|
| 18 |
Ultrafast ring-opening dynamics of 1,2-dithiane following ultraviolet absorption
|
Robertson, Patrick A.
|
|
|
871 |
C |
p.
|
artikel
|
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