| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Acriflavine in aqueous solution: excitation and hydration
|
Kostjukov, Victor
|
|
|
28 |
7 |
|
artikel
|
| 2 |
Adsorption of a thione derivative on carbon, AlN, and BN nanotubes: a detailed DFT and MD investigation
|
Al-Otaibi, Jamelah S.
|
|
|
28 |
7 |
|
artikel
|
| 3 |
Coarse-grained modeling of the calcium, sodium, magnesium and potassium cations interacting with proteins
|
Lipska, Agnieszka G.
|
|
|
28 |
7 |
|
artikel
|
| 4 |
CO2 capture and a route to transform it in formic acid: a theoretical approach
|
Rios, Citlalli
|
|
|
28 |
7 |
|
artikel
|
| 5 |
Computational analysis of mechanical behavior and potential energy of thermoresponsive copper-tantalum nanoalloy
|
Gupta, Mahesh Kumar
|
|
|
28 |
7 |
|
artikel
|
| 6 |
Computational identification of bioactive compounds from Cydonia oblonga Mill. against hepatocellular carcinoma by targeting pTEN and HBx-interacting protein
|
Khan, Elhan
|
|
|
28 |
7 |
|
artikel
|
| 7 |
Correction to: Boron nitride nanotubes as containers for targeted drug delivery of doxorubicin
|
Nejad, Marjan A.
|
|
|
28 |
7 |
|
artikel
|
| 8 |
Correction to: Electronic structure and interaction in CH4@ C60: a first‑principle investigation
|
Jia, Ang
|
|
|
28 |
7 |
|
artikel
|
| 9 |
Correction to: Fully relativistic study of polyatomic closed shell E121X3 (X = F, Cl, Br) molecules: effects of Gaunt interaction, relativistic effects and advantages of an exact-two component (X2C) hamiltonian
|
Sena Pinheiro, Alan
|
|
|
28 |
7 |
|
artikel
|
| 10 |
Correction to: Fundamental mechanisms of hexagonal boron nitride sensing of dopamine, tryptophan, ascorbic acid, and uric acid by first‑principles study
|
Rezayei, Elham
|
|
|
28 |
7 |
|
artikel
|
| 11 |
Correction to: Molecular dynamics simulations of structure and dynamics in aqueous solution of neutral and ionized derivatives of poly(vinyl amine): methyl, n-propyl, and iso-propyl substitutions
|
Pachpinde, Sushil
|
|
|
28 |
7 |
|
artikel
|
| 12 |
Correction to: Phosphide in gallium bismuth: structural, electronic, elastic, and optical properties of GaPxBi1−x alloys
|
Touam, S.
|
|
|
28 |
7 |
|
artikel
|
| 13 |
Electronic structure and interaction in CH4@C60: a first-principle investigation
|
Jia, Ang
|
|
|
28 |
7 |
|
artikel
|
| 14 |
Electronic structure and reactivity indexes of cobalt clusters, both pure and mixed with NO and N2O (Conq, q=0,1 and n=4-9)
|
Facio-Muñoz, José Guadalupe
|
|
|
28 |
7 |
|
artikel
|
| 15 |
First-principle investigation of CO, CH4, and CO2 adsorption on Cr-doped graphene-like hexagonal borophene
|
Wang, Chao
|
|
|
28 |
7 |
|
artikel
|
| 16 |
First-principles study of strain on BN-doped arsenene
|
He, Jianlin
|
|
|
28 |
7 |
|
artikel
|
| 17 |
Identification of PRMT5 inhibitors with novel scaffold structures through virtual screening and biological evaluations
|
Zhang, Qian
|
|
|
28 |
7 |
|
artikel
|
| 18 |
In silico studies of the human IAPP in the presence of osmolytes
|
Khan, Ashma
|
|
|
28 |
7 |
|
artikel
|
| 19 |
Interfacial interaction–driven rheological properties of quartz nanofluids from molecular dynamics simulations and density functional theory calculations
|
Lou, Zhaoyang
|
|
|
28 |
7 |
|
artikel
|
| 20 |
Peptide mediated colorimetric detection of SARS-CoV-2 using gold nanoparticles: a molecular dynamics simulation study
|
Verma, Nitu
|
|
|
28 |
7 |
|
artikel
|
| 21 |
Phosphide in gallium bismuth: structural, electronic, elastic, and optical properties of GaPxBi1−x alloys
|
Touam, S.
|
|
|
28 |
7 |
|
artikel
|
| 22 |
Repurposing benzbromarone as antifolate to develop novel antifungal therapy for Candida albicans
|
Mujwar, Somdutt
|
|
|
28 |
7 |
|
artikel
|
| 23 |
Theoretical assessments and optical and electrochemical properties of the alkoxylated bischalcone as emissive material in single-layer OLED
|
Saidin, Syaharil
|
|
|
28 |
7 |
|
artikel
|
| 24 |
Theoretical study on BTF-based cocrystals: effect of external electric field
|
Zhang, Renfa
|
|
|
28 |
7 |
|
artikel
|
| 25 |
Theoretical study on the optical properties of an ESIPT-based fluorescent probe for phosgene
|
Zheng, Zefei
|
|
|
28 |
7 |
|
artikel
|
| 26 |
X-ray diffraction study and molecular dynamic simulation of liquid Al-Cu alloys: a new data and interatomic potentials comparison
|
Kashyrina, Yaroslavna O.
|
|
|
28 |
7 |
|
artikel
|
Tijdschrift beschrijving