| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
A computational study of hydrogen-bonded X3CH⋯YZ (X = Cl, F, NC; YZ = FLi, BF, CO, N2) complexes
|
McDowell, Sean A.C.
|
|
2018
|
696 |
C |
p. 61-66
|
artikel
|
| 2 |
Analysis of polarization in hydrogen bonded complexes: An asymptotic projection approach
|
Drici, Nedjoua
|
|
2018
|
696 |
C |
p. 1-7
|
artikel
|
| 3 |
A quantum mechanical study of the optical response evolution in nanorod dimers
|
Mokkath, Junais Habeeb
|
|
2018
|
696 |
C |
p. 36-41
|
artikel
|
| 4 |
Chemical oxidative and solid state synthesis of low molecular weight polymers for organic field effect transistors
|
Mahale, Rajashree Y.
|
|
2018
|
696 |
C |
p. 48-54
|
artikel
|
| 5 |
Chiral organosilica particles and their use as inducers of conformational deracemization of liquid crystal phases
|
Cohen, Orit
|
|
2018
|
696 |
C |
p. 112-118
|
artikel
|
| 6 |
Comments on “Theoretical investigation on H abstraction reaction mechanisms and rate constants of sevoflurane with the OH radical” [Chem. Phys. Lett. 692 (2018) 345–352]
|
Mai, Tam V.-T.
|
|
2018
|
696 |
C |
p. 67-69
|
artikel
|
| 7 |
Comparison of experimental photonic and refractive index characteristics of the TBADN films with their theoretical counterparts
|
Örek, Cahit
|
|
2018
|
696 |
C |
p. 12-18
|
artikel
|
| 8 |
Consequences of theory level choice evaluated with new tools from QTAIM and the stress tensor for a dipeptide conformer
|
Li, Jiahui
|
|
2018
|
696 |
C |
p. 42-47
|
artikel
|
| 9 |
Density functional theory calculations of the non-resonant and resonant X-ray emission spectroscopy of carbon fullerenes and nanotubes
|
Hanson-Heine, Magnus W.D.
|
|
2018
|
696 |
C |
p. 119-124
|
artikel
|
| 10 |
Editorial Board
|
|
|
2018
|
696 |
C |
p. ii
|
artikel
|
| 11 |
Effect of ionization on the oxidation kinetics of aluminum nanoparticles
|
Zheng, Yao-Ting
|
|
2018
|
696 |
C |
p. 8-11
|
artikel
|
| 12 |
Fine-tuning blend morphology via alkylthio side chain engineering towards high performance non-fullerene polymer solar cells
|
Li, Ling
|
|
2018
|
696 |
C |
p. 19-25
|
artikel
|
| 13 |
Graphical abstract TOC
|
|
|
2018
|
696 |
C |
p. OBC
|
artikel
|
| 14 |
Graphical abstract TOC
|
|
|
2018
|
696 |
C |
p. III-VI
|
artikel
|
| 15 |
Graphical abstract TOC
|
|
|
2018
|
696 |
C |
p. IBC
|
artikel
|
| 16 |
Imidazole derivatives as angiotensin II AT1 receptor blockers: Benchmarks, drug-like calculations and quantitative structure-activity relationships modeling
|
Alloui, Mebarka
|
|
2018
|
696 |
C |
p. 70-78
|
artikel
|
| 17 |
Instilling exploitable INHIBIT logic gate response for F−/H+ in ‘end-off’ anthracene-diamine hybrid by simple functional group manipulation: Experimental study aided by DFT calculations
|
Bhattacharyya, Arghyadeep
|
|
2018
|
696 |
C |
p. 106-111
|
artikel
|
| 18 |
Kinetics of H abstraction and addition reactions of 2,4,4-trimethyl-2-pentene by OH radical
|
Yin, Geyuan
|
|
2018
|
696 |
C |
p. 125-134
|
artikel
|
| 19 |
(Li, Na, K)OH hydration bonding thermodynamics: Solution self-heating
|
Sun, Chang Q.
|
|
2018
|
696 |
C |
p. 139-143
|
artikel
|
| 20 |
Luminescence of the NeI2 van der Waals complex
|
Baturo, V.V.
|
|
2018
|
696 |
C |
p. 26-30
|
artikel
|
| 21 |
Magnetic properties of exchange coupled SmCo5/FeCo composite particles synthesized by magnetic self-assembly
|
Ma, Chuantao
|
|
2018
|
696 |
C |
p. 31-35
|
artikel
|
| 22 |
Molecular simulations of a CO2/CO mixture in MIL-127
|
Chokbunpiam, Tatiya
|
|
2018
|
696 |
C |
p. 86-91
|
artikel
|
| 23 |
Novel ZrO2 based ceramics stabilized by Fe2O3, SiO2 and Y2O3
|
Rada, S.
|
|
2018
|
696 |
C |
p. 92-99
|
artikel
|
| 24 |
Photoactive hybrid nanosystem based on CdS quantum dot and novel diarylethylene photochrome as FRET acceptor
|
Chashchikhin, O.V.
|
|
2018
|
696 |
C |
p. 135-138
|
artikel
|
| 25 |
Practical and reliable approximation of nonadiabatic coupling terms between triplet electronic states using only adiabatic potential energies
|
An, Heesun
|
|
2018
|
696 |
C |
p. 100-105
|
artikel
|
| 26 |
Propafenone effects on the stable structures of Aβ16-22 system
|
Tran, Linh
|
|
2018
|
696 |
C |
p. 55-60
|
artikel
|
| 27 |
Theoretical kinetics study of the reactions CHClBr + HBr ⇄ CH2ClBr + Br, CCl2Br + HBr ⇄ CHCl2Br + Br and CClBr2 + HBr ⇄ CHClBr2 + Br
|
Bracco, Larisa L.B.
|
|
2018
|
696 |
C |
p. 79-85
|
artikel
|
Tijdschrift beschrijving