| Author |
Title |
Year |
Publication |
Volume |
Times cited |
Additional Links |
| Bal, K.M. |
Nucleation rates from small scale atomistic simulations and transition state theory |
2021 |
Journal Of Chemical Physics |
155 |
|
UA library record; WoS full record; WoS citing articles |
| Ramesha, B.M.; Pawlak, B.; Arenas Esteban, D.; Reekmans, G.; Bals, S.; Marchal, W.; Carleer, R.; Adriaensens, P.; Meynen, V. |
Partial hydrolysis of diphosphonate ester during the formation of hybrid Tio₂ nanoparticles : role of acid concentration |
2023 |
ChemPhysChem : a European journal of chemical physics and physical chemistry |
|
|
UA library record; WoS full record |
| Duran, T.A.; Šabani, D.; Milošević, M.V.; Sahin, H. |
Experimental and theoretical investigation of synthesis and properties of dodecanethiol-functionalized MoS₂ |
2023 |
Physical chemistry, chemical physics |
25 |
|
UA library record; WoS full record |
| Dong, H.M.; Liang, H.P.; Tao, Z.H.; Duan, Y.F.; Milošević, M.V.; Chang, K. |
Interface thermal conductivities induced by van der Waals interactions |
2024 |
Physical chemistry, chemical physics |
26 |
|
UA library record; WoS full record |
| Gogoi, A.; Neyts, E.C.; Peeters, F.M. |
Reduction-enhanced water flux through layered graphene oxide (GO) membranes stabilized with H3O+ and OH- ions |
2024 |
Physical chemistry, chemical physics |
26 |
|
UA library record; WoS full record |
| Filez, M.; Redekop, E.A.; Galvita, V.V.; Poelman, H.; Meledina, M.; Turner, S.; Van Tendeloo, G.; Bell, A.T.; Marin, G.B. |
The role of hydrogen during Pt-Ga nanocatalyst formation |
2016 |
Physical chemistry, chemical physics |
18 |
10 |
UA library record; WoS full record; WoS citing articles |
| Nikolaev, A.V.; Lamoen, D.; Partoens, B. |
Extension of the basis set of linearized augmented plane wave (LAPW) method by using supplemented tight binding basis functions |
2016 |
The journal of chemical physics |
145 |
11 |
UA library record; WoS full record; WoS citing articles |
| Bercx, M.; Sarmadian, N.; Saniz, R.; Partoens, B.; Lamoen, D. |
First-principles analysis of the spectroscopic limited maximum efficiency of photovoltaic absorber layers for CuAu-like chalcogenides and silicon |
2016 |
Physical chemistry, chemical physics |
18 |
34 |
UA library record; WoS full record; WoS citing articles |
| Matsubara, M.; Saniz, R.; Partoens, B.; Lamoen, D. |
Doping anatase TiO2with group V-b and VI-b transition metal atoms: a hybrid functional first-principles study |
2017 |
Physical chemistry, chemical physics |
19 |
19 |
UA library record; WoS full record; WoS citing articles |
| Saniz, R.; Bekaert, J.; Partoens, B.; Lamoen, D. |
Structural and electronic properties of defects at grain boundaries in CuInSe2 |
2017 |
Physical chemistry, chemical physics |
19 |
12 |
UA library record; WoS full record; WoS citing articles |
| Shirazi, M.; Bogaerts, A.; Neyts, E.C. |
A DFT study of H-dissolution into the bulk of a crystalline Ni(111) surface: a chemical identifier for the reaction kinetics |
2017 |
Physical chemistry, chemical physics |
19 |
10 |
UA library record; WoS full record; WoS citing articles |
| Momot, A.; Amini, M.N.; Reekmans, G.; Lamoen, D.; Partoens, B.; Slocombe, D.R.; Elen, K.; Adriaensens, P.; Hardy, A.; Van Bael, M.K. |
A novel explanation for the increased conductivity in annealed Al-doped ZnO: an insight into migration of aluminum and displacement of zinc |
2017 |
Physical chemistry, chemical physics |
19 |
26 |
UA library record; WoS full record; WoS citing articles |
| Gorbanev, Y.; Verlackt, C.C.W.; Tinck, S.; Tuenter, E.; Foubert, K.; Cos, P.; Bogaerts, A. |
Combining experimental and modelling approaches to study the sources of reactive species induced in water by the COST RF plasma jet |
2018 |
Physical chemistry, chemical physics |
20 |
23 |
UA library record; WoS full record; WoS citing articles |
| Verlackt, C.C.W.; Van Boxem, W.; Bogaerts, A. |
Transport and accumulation of plasma generated species in aqueous solution |
2018 |
Physical chemistry, chemical physics |
20 |
35 |
UA library record; WoS full record; WoS citing articles |
| Bal, K.M.; Neyts, E.C. |
Modelling molecular adsorption on charged or polarized surfaces: a critical flaw in common approaches |
2018 |
Physical chemistry, chemical physics |
20 |
8 |
UA library record; WoS full record; WoS citing articles |
| Serrano-Sevillano, J.; Reynaud, M.; Saracibar, A.; Altantzis, T.; Bals, S.; van Tendeloo, G.; Casas-Cabanas, M. |
Enhanced electrochemical performance of Li-rich cathode materials through microstructural control |
2018 |
Physical chemistry, chemical physics |
20 |
36 |
UA library record; WoS full record; WoS citing articles |
| Gorbanev, Y.; Van der Paal, J.; Van Boxem, W.; Dewilde, S.; Bogaerts, A. |
Reaction of chloride anion with atomic oxygen in aqueous solutions: can cold plasma help in chemistry research? |
2019 |
Physical chemistry, chemical physics |
21 |
4 |
UA library record; WoS full record; WoS citing articles |
| Bal, K.M.; Fukuhara, S.; Shibuta, Y.; Neyts, E.C. |
Free energy barriers from biased molecular dynamics simulations |
2020 |
Journal Of Chemical Physics |
153 |
|
UA library record; WoS full record; WoS citing articles |
| Izadi, M.E.; Bal, K.M.; Maghari, A.; Neyts, E.C. |
Reaction mechanisms of C(3PJ) and C+(2PJ) with benzene in the interstellar medium from quantum mechanical molecular dynamics simulations |
2021 |
Physical Chemistry Chemical Physics |
23 |
|
UA library record; WoS full record; WoS citing articles |
| Payne, L.M.; Masia, F.; Zilli, A.; Albrecht, W.; Borri, P.; Langbein, W. |
Quantitative morphometric analysis of single gold nanoparticles by optical extinction microscopy: Material permittivity and surface damping effects |
2021 |
Journal Of Chemical Physics |
154 |
|
UA library record; WoS full record; WoS citing articles |
| Martin, J.M.L.; Taylor, P.R.; François, J.P.; Gijbels, R. |
Ab initio study of the spectroscopy, kinetics, and thermochemistry of the BN2 molecule |
1994 |
Chemical physics letters |
222 |
14 |
UA library record; WoS full record; WoS citing articles |
| Martin, J.M.L.; Taylor, P.R.; François, J.P.; Gijbels, R. |
Ab initio study of the spectroscopy, kinetics, and thermochemistry of the C2N and CN2 molecules |
1994 |
Chemical physics letters |
226 |
46 |
UA library record; WoS full record; WoS citing articles |
| Cai, Z.L.; Martin, J.M.L.; François, J.P.; Gijbels, R. |
Ab initio study of the X2\Sigma+ and A 2\Pi states of the SiN radical |
1996 |
Chemical physics letters |
252 |
28 |
UA library record; WoS full record; WoS citing articles |
| Neyts, E.; Shibuta, Y.; Bogaerts, A. |
Bond switching regimes in nickel and nickel-carbon nanoclusters |
2010 |
Chemical physics letters |
488 |
20 |
UA library record; WoS full record; WoS citing articles |
| Ning, Y.; Zhang, X.; Wang, Y.; Sun, Y.; Shen, L.; Yang, X.; Van Tendeloo, G. |
Bulk production of multi-wall carbon nanotube bundles on sol-gel prepared catalyst |
2002 |
Chemical physics letters |
366 |
41 |
UA library record; WoS full record; WoS citing articles |
| Colomer, J.-F.; Benoit, J.-M.; Stephan, C.; Lefrant, S.; Van Tendeloo, G.; Nagy, J.B. |
Characterization of single-wall carbon nanotubes produced by CCVD method |
2001 |
Chemical physics letters |
345 |
45 |
UA library record; WoS full record; WoS citing articles |
| Willems, I.; Konya, Z.; Colomer, J.F.; Van Tendeloo, G.; Nagaraju, N.; Fonseca, A.; Nagy, J.B. |
Control of the outer diameter of thin carbon nanotubes synthesized by catalytic decomposition of hydrocarbons |
2000 |
Chemical physics letters |
317 |
130 |
UA library record; WoS full record; WoS citing articles |
| Li, Y.; Zhang, X.; Shen, L.; Luo, J.; Tao, X.; Liu, F.; Xu, G.; Wang, Y.; Geise, H.J.; Van Tendeloo, G. |
Controlling the diameters in large-scale synthesis of single-walled carbon nanotubes by catalytic decomposition of CH4 |
2004 |
Chemical physics letters |
398 |
45 |
UA library record; WoS full record; WoS citing articles |
| Bittencourt, C.; Felten, A.; Ghijsen, J.; Pireaux, J.-J.; Drube, W.; Erni, R.; Van Tendeloo, G. |
Decorating carbon nanotubes with nickel nanoparticles |
2007 |
Chemical physics letters |
436 |
78 |
UA library record; WoS full record; WoS citing articles |
| Lamoen, D.; Parrinello, M. |
Geometry and electronic structure of porphyrines and porphyrazines |
1996 |
Chemical Physics Letters |
248 |
46 |
UA library record; WoS full record; WoS citing articles |
