| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
An alternative approach to structural analysis for gas electron diffraction method
|
Zhabanov, Yuriy A.
|
|
2018
|
1123 |
C |
p. 149-153
|
artikel
|
| 2 |
An energetic analysis of the Diels-Alder endo:exo selectivity reaction by using composite methods
|
Leal, Régis Casimiro
|
|
2018
|
1123 |
C |
p. 161-168
|
artikel
|
| 3 |
A new free radical scavenging cascade involving melatonin and three of its metabolites (3OHM, AFMK and AMK)
|
Reina, Miguel
|
|
2018
|
1123 |
C |
p. 111-118
|
artikel
|
| 4 |
A theoretical study of the thermal stability of the FS(O2)OSO2 radical and the recombination kinetics with the FSO3 radical
|
Badenes, M.P.
|
|
2018
|
1123 |
C |
p. 87-95
|
artikel
|
| 5 |
A theoretical study on the hydrogen bond and stability of cytosine and thymine dimers
|
Jawiczuk, Magdalena
|
|
2018
|
1123 |
C |
p. 26-34
|
artikel
|
| 6 |
Dissociation mechanism of propane hydrate with methanol additive: A molecular dynamics simulation
|
Li, Keyao
|
|
2018
|
1123 |
C |
p. 79-86
|
artikel
|
| 7 |
Editorial Board
|
|
|
2018
|
1123 |
C |
p. ii
|
artikel
|
| 8 |
Electron-based descriptors in the study of physicochemical properties of compounds
|
Potemkin, Vladimir
|
|
2018
|
1123 |
C |
p. 1-10
|
artikel
|
| 9 |
First-principles insights on detection of dimethyl amine and trimethyl amine vapors using graphdiyne nanosheets
|
Nagarajan, V.
|
|
2018
|
1123 |
C |
p. 119-127
|
artikel
|
| 10 |
Influence of CH4 and C3H8 molecules on stability of double-cage of sI clathrate hydrate
|
An, Ting
|
|
2018
|
1123 |
C |
p. 128-134
|
artikel
|
| 11 |
Information entropy changes in chemical reactions
|
Sabirov, Denis Sh.
|
|
2018
|
1123 |
C |
p. 169-179
|
artikel
|
| 12 |
Mechanism of heterogeneous reaction between gaseous elemental mercury and H2O2 on Fe3O4 (1 1 0) surface
|
Zhou, Changsong
|
|
2018
|
1123 |
C |
p. 11-19
|
artikel
|
| 13 |
Molecular modeling reveals the inhibition mechanism and binding mode of ursolic acid to TLR4-MD2
|
Niu, Xiaodi
|
|
2018
|
1123 |
C |
p. 73-78
|
artikel
|
| 14 |
Neutral noble gas compound with a xenon-metal double bond: A theoretical study of F2XeWF2
|
Gao, Kunqi
|
|
2018
|
1123 |
C |
p. 35-40
|
artikel
|
| 15 |
Quantum dynamics calculations for e + + LiH → Li+ + [H−; e +] dissociative positron attachment using a pseudopotential model
|
Suzuki, Kento
|
|
2018
|
1123 |
C |
p. 135-141
|
artikel
|
| 16 |
Study of the structural, electronic, and optical properties of the host matrices of LiAl5O8 and LiGa5O8 via DFT
|
de Sousa, Osmar M.
|
|
2018
|
1123 |
C |
p. 96-101
|
artikel
|
| 17 |
Tandem Cope-rearrangement and [2 + 2] cycloaddition of cis-1,2-diethynylcyclopropane and its mono-hetero analogues: A DFT investigation
|
Kour, Manjinder
|
|
2018
|
1123 |
C |
p. 142-148
|
artikel
|
| 18 |
Theoretical insight into CO-sensing performance of pure and oxygen-defective α-Fe2O3 (1 1 0) surface
|
Li, Feifei
|
|
2018
|
1123 |
C |
p. 41-49
|
artikel
|
| 19 |
Theoretical molecular design of hexasilabenzene analogues aiming for the thermodynamic and kinetic stabilization
|
Nakamura, Taiji
|
|
2018
|
1123 |
C |
p. 61-72
|
artikel
|
| 20 |
Theoretical study: Electronic structure and receptor interaction of four type bis-1,4-dihydropyridine molecules
|
Cisneros, G. Iván Vázquez
|
|
2018
|
1123 |
C |
p. 102-110
|
artikel
|
| 21 |
Theoretical study on DABCO-catalyzed ring expansion of cyclopropyl ketone: Mechanism, chemoselectivity, and role of catalyst
|
Shi, Qianqian
|
|
2018
|
1123 |
C |
p. 20-25
|
artikel
|
| 22 |
Theoretical study with DFT on the mechanism of visible light-driven β-functionalization of aldehydes
|
Liu, Yuhua
|
|
2018
|
1123 |
C |
p. 154-160
|
artikel
|
| 23 |
Tris(perfluoroalkyl)germylethynyl derivatives of biphenyl containing ferrocenyl donor group: Structure, spectra, and photoinduced intramolecular electron transfer
|
Chuhmanov, E.P.
|
|
2018
|
1123 |
C |
p. 50-60
|
artikel
|
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