| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
A molecular dynamics simulations study on the modification of aqueous solution structure and dynamics in presence of monovalent salts: An electronic continuum correction approach and effect of ion size
|
Parida, Chinmay
|
|
|
576 |
C |
p.
|
artikel
|
| 2 |
Catalytic performance of metal chloride for dehydrochlorination of trichloroethane
|
Ge, Xiang
|
|
|
576 |
C |
p.
|
artikel
|
| 3 |
Computational study of the electronic structures and photocatalytic water splitting performances of Janus aluminium chalcogenide monolayers
|
Li, Chao
|
|
|
576 |
C |
p.
|
artikel
|
| 4 |
Contents continued
|
|
|
|
576 |
C |
p.
|
artikel
|
| 5 |
Controlling placement of quantum states in phosphorene nanoribbons using ligands
|
Lambert, Ryan
|
|
|
576 |
C |
p.
|
artikel
|
| 6 |
Corrigendum to “Low temperature state-to-state vibrational kinetics of O + N2(v) and N + O2(v) collisions” [Chem. Phys. 571 (2023) 111937]
|
Armenise, I.
|
|
|
576 |
C |
p.
|
artikel
|
| 7 |
Dimeric cation-cation aggregates stabilized by 2Ch-2N chalcogen bonds: Crystallographic and theoretical evidences
|
Liu, Na
|
|
|
576 |
C |
p.
|
artikel
|
| 8 |
Dynamics studies of the Si+(2P) + D2 reaction by using quantum and quasi-classical methods
|
Yu, Shunxia
|
|
|
576 |
C |
p.
|
artikel
|
| 9 |
Editorial Board
|
|
|
|
576 |
C |
p.
|
artikel
|
| 10 |
Effects of the third body (O and N) on the recombination of molecular nitrogen using quasi-classical trajectory methods
|
Kondur, Chaithanya
|
|
|
576 |
C |
p.
|
artikel
|
| 11 |
Electric field gradients at rubidium sites in rubidium uranyl nitrate and quadrupole moments of 85Rb and 87Rb
|
Park, Sejun
|
|
|
576 |
C |
p.
|
artikel
|
| 12 |
Elucidating state-specific dynamics of 1La and 1Lb in cyanoindole derivatives using UV/Vis pump IR detection
|
Wang, Bingyao
|
|
|
576 |
C |
p.
|
artikel
|
| 13 |
Energy relaxation pathways and their isotope effects of water bending mode in liquid phase: A nonequilibrium ab initio molecular dynamics simulation study
|
Ishiyama, Tatsuya
|
|
|
576 |
C |
p.
|
artikel
|
| 14 |
Enzymatic CS bond cleavage: Mechanism for the conversion of methanesulfonate to sulfite by flavin-dependent MsuD monooxygenase
|
Wu, Han-Xiao
|
|
|
576 |
C |
p.
|
artikel
|
| 15 |
Execution of a quantum algorithm for calculating energies of some quantum mechanical systems
|
Chaganti, Siddhartha K.
|
|
|
576 |
C |
p.
|
artikel
|
| 16 |
First-principles calculation of structural, electronic, and superconducting properties of PuH x , 6 ≤ x ≤ 10
|
Yao, Yutong
|
|
|
576 |
C |
p.
|
artikel
|
| 17 |
First-principles study on novel LiB2 phases and superconductivity at ambient pressure
|
Hao, Lingjuan
|
|
|
576 |
C |
p.
|
artikel
|
| 18 |
First principle study of enhanced CO adsorption on divacancy graphene-supported TM7 (TM = Fe, Co, Ni, Cu, Ag, and Au) clusters
|
Zhang, Ruoqi
|
|
|
576 |
C |
p.
|
artikel
|
| 19 |
Graphical abstract TOC
|
|
|
|
576 |
C |
p.
|
artikel
|
| 20 |
Graphical abstract TOC
|
|
|
|
576 |
C |
p.
|
artikel
|
| 21 |
Intermolecular interactions between nucleoside, amino acid, and water molecules probed by ultraviolet photodissociation in the gas phase
|
Nagai, Daiya
|
|
|
576 |
C |
p.
|
artikel
|
| 22 |
Nitrogen-Doped Single-Walled Carbon Nanotubes by Floating-Catalyst CVD Process
|
Thurakitseree, Theerapol
|
|
|
576 |
C |
p.
|
artikel
|
| 23 |
Optimization of NaBiS2 nanoribbons for photocatalytic application
|
Ali, Ahsan
|
|
|
576 |
C |
p.
|
artikel
|
| 24 |
Theoretical insights into the interplay between Sb vacancy and Fe on magnetic and optoelectronic properties of Fe-doped antimonene
|
Han, Xiaoping
|
|
|
576 |
C |
p.
|
artikel
|
| 25 |
Theoretical relationship between vibrational properties and impact sensitivity of energetic materials from the phonon upon transition theory
|
Bao, Shi-Yuan
|
|
|
576 |
C |
p.
|
artikel
|
| 26 |
Toward rational design of dual-metal-site single atom electrocatalysts for hydrogen and oxygen evolution reactions
|
Cheng, Yuwen
|
|
|
576 |
C |
p.
|
artikel
|
| 27 |
Tunable electronic and optical properties of AlSb/InSe heterojunction and As and Te doped AlSb/InSe heterojunction based on first principles
|
Sun, Yue
|
|
|
576 |
C |
p.
|
artikel
|
| 28 |
Tunable Schottky barrier of in-plane MoSSe/Borophene heterojunctions under electric field and strain
|
Wang, Yu
|
|
|
576 |
C |
p.
|
artikel
|
| 29 |
Ultrafast electron transfer of different vibronic states in flavodoxin
|
Zhang, Yifei
|
|
|
576 |
C |
p.
|
artikel
|
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