| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
A reaction force perspective of a model amide bond formation reaction
|
Neelamraju, V. Suresh Kumar
|
|
2019
|
1151 |
C |
p. 91-98
|
artikel
|
| 2 |
CO catalytic oxidation over C59X heterofullerenes (X = B, Si, P, S): A DFT study
|
Esrafili, Mehdi D.
|
|
2019
|
1151 |
C |
p. 50-57
|
artikel
|
| 3 |
Computational study on the removal of photolabile protecting groups by photochemical reactions
|
Yang, Chou-Hsun
|
|
2019
|
1151 |
C |
p. 1-11
|
artikel
|
| 4 |
Editorial Board
|
|
|
2019
|
1151 |
C |
p. ii
|
artikel
|
| 5 |
Electronic structure of boron and nitrogen doped isomeric graphene nanoflakes
|
Vera de la Garza, Cesar Gabriel
|
|
2019
|
1151 |
C |
p. 12-23
|
artikel
|
| 6 |
Electron-nuclear entanglement in the time-dependent molecular wavefunction
|
Agostini, Federica
|
|
2019
|
1151 |
C |
p. 99-106
|
artikel
|
| 7 |
Intermolecular association of some selected melanin monomers and their optical absorption
|
Supakar, Subhrangshu
|
|
2019
|
1151 |
C |
p. 43-49
|
artikel
|
| 8 |
Malleable parallelism with minimal effort for maximal throughput and maximal hardware load
|
Spenke, Florian
|
|
2019
|
1151 |
C |
p. 72-77
|
artikel
|
| 9 |
Optical properties and quasiparticle energies in the two-layered hydrogenated gallium nitrate nanosheet: A DFT study
|
Faghihzadeh, Somayeh
|
|
2019
|
1151 |
C |
p. 31-35
|
artikel
|
| 10 |
Spectroscopic, vibrational and structural properties analysis of CaXen (n = 1–4) clusters
|
Mtiri, Safa
|
|
2019
|
1151 |
C |
p. 58-71
|
artikel
|
| 11 |
Structures, metallophilic interactions and electronic excitation energy of linear metal chain complexes PdmPtn[PH2(CH2PH)m+n-2CH2PH2]3, a theoretical investigation
|
Shen, Mingrui
|
|
2019
|
1151 |
C |
p. 24-30
|
artikel
|
| 12 |
Theoretical study on the gas phase reaction of methyl chavicol with hydroxyl radical
|
Bhuvaneswari, R.
|
|
2019
|
1151 |
C |
p. 78-90
|
artikel
|
| 13 |
Unveiling the photophysics of thiourea from CASPT2/CASSCF potential energy surfaces and singlet/triplet excited state molecular dynamics simulations
|
Aguilera-Porta, Neus
|
|
2019
|
1151 |
C |
p. 36-42
|
artikel
|
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