| Author |
Title |
Year |
Publication |
Volume |
Times cited |
Additional Links |
| Smits, M.; Ling, Y.; Lenaerts, S.; Van Doorslaer, S. |
Photocatalytic removal of soot : unravelling of the reaction mechanism by EPR and in situ FTIR spectroscopy |
2012 |
ChemPhysChem : a European journal of chemical physics and physical chemistry |
13 |
9 |
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 |
| Martin, J.M.L.; François, J.P.; Gijbels, R. |
Ab initio study of the structure, infrared spectra and heat of formation of C4 |
1991 |
The journal of chemical physics |
94 |
62 |
UA library record; WoS full record; WoS citing articles |
| Taylor, P.R.; Martin, J.M.L.; François, J.P.; Gijbels, R. |
An ab initio study of the C3+ cation using multireference methods |
1991 |
The journal of chemical physics |
95 |
|
UA library record |
| 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 |
| Houssa, M.; van den Broek, B.; Scalise, E.; Pourtois, G.; Afanas'ev, V.V.; Stesmans, A. |
An electric field tunable energy band gap at silicene/(0001) ZnS interfaces |
2013 |
Physical chemistry, chemical physics |
15 |
74 |
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 |
| Martin, J.M.L.; François, J.P.; Gijbels, R. |
First principles computation of thermo-chemical properties beyond the harmonic approximation: 1: method and application to the water molecule and its isotopomers |
1992 |
The journal of chemical physics |
96 |
59 |
UA library record; WoS full record; WoS citing articles |
| Martin, J.M.L.; François, J.P.; Gijbels, R. |
First principles computation of thermo-chemical properties beyond the harmonic approximation: 2: application to the amino radical and its isotopomers |
1992 |
The journal of chemical physics |
97 |
22 |
UA library record; WoS full record; WoS citing articles |
| Neyts, E.; Bogaerts, A. |
Influence of internal energy and impact angle on the sticking behaviour of reactive radicals in thin a-C:H film growth: a molecular dynamics study |
2006 |
Physical chemistry, chemical physics |
8 |
7 |
UA library record; WoS full record; WoS citing articles |
| Georgieva, V.; Todorov, I.T.; Bogaerts, A. |
Molecular dynamics simulation of oxide thin film growth: importance of the inter-atomic interaction potential |
2010 |
Chemical physics letters |
485 |
16 |
UA library record; WoS full record; WoS citing articles |
| Martin, J.M.L.; François, J.P.; Gijbels, R. |
On the effect of centrifugal stretching on the rotational partition function of an asymmetric top |
1991 |
The journal of chemical physics |
95 |
12 |
UA library record; WoS full record; WoS citing articles |
| Martin, J.M.L.; François, J.P.; Gijbels, R. |
On the heat formation of C8 and higher carbon clusters (letter to the editor) |
1991 |
The journal of chemical physics |
95 |
27 |
UA library record; WoS full record; WoS citing articles |
| Shariat, M.; Shokri, B.; Neyts, E.C. |
On the low-temperature growth mechanism of single walled carbon nanotubes in plasma enhanced chemical vapor deposition |
2013 |
Chemical physics letters |
590 |
14 |
UA library record; WoS full record; WoS citing articles |
| Slanina, Z.; Martin, J.M.L.; François, J.P.; Gijbels, R. |
On the relative stabilities of the linear and triangular forms of B3N |
1993 |
Chemical physics |
178 |
9 |
UA library record; WoS full record; WoS citing articles |
| Martin, J.M.L.; François, J.P.; Gijbels, R. |
On the structure, stability and infrared spectrum of B2N, B2N+, B2N-, BO, B2O and B2N2 |
1992 |
Chemical physics letters |
193 |
42 |
UA library record; WoS full record; WoS citing articles |
| Bal, K.M.; Neyts, E.C. |
On the time scale associated with Monte Carlo simulations |
2014 |
The journal of chemical physics |
141 |
26 |
UA library record; WoS full record; WoS citing articles |
| Martin, J.M.L.; François, J.P.; Gijbels, R. |
Potential energy surface of B4 and the total atomization energies of B2, B3 and B4 |
1992 |
Chemical physics letters |
189 |
50 |
UA library record; WoS full record; WoS citing articles |
| Martin, J.M.L.; François, J.P.; Gijbels, R. |
The rotational partition function of the symmetric top and the effect of K doubling thereon |
1991 |
Chemical physics letters |
187 |
6 |
UA library record; WoS full record; WoS citing articles |
| Martin, J.M.L.; François, J.P.; Gijbels, R.; Almlöf, J. |
Structure and infrared spectroscopy of the C11 molecule |
1991 |
Chemical physics letters |
187 |
42 |
UA library record; WoS full record; WoS citing articles |
| Slanina, Z.; Martin, J.M.L.; François, J.P.; Gijbels, R. |
The structure, energetics, and harmonic vibrations of B3N |
1993 |
Chemical physics letters |
201 |
20 |
UA library record; WoS full record; WoS citing articles |
| Martin, J.M.L.; El-Yazal, J.; François, J.P.; Gijbels, R. |
Structures and thermochemistry of B3N3 and B4N4 |
1995 |
Chemical physics letters |
232 |
35 |
UA library record; WoS full record; WoS citing articles |
| Cornil, D.; Li, H.; Wood, C.; Pourtois, G.; Bredas, J.-L.; Cornil, J. |
Work-function modification of Au and Ag surfaces upon deposition of self-assembled monolayers : influence of the choice of the theoretical approach and the thiol decomposition scheme |
2013 |
ChemPhysChem : a European journal of chemical physics and physical chemistry |
14 |
9 |
UA library record; WoS full record; WoS citing articles |
| Ali, S.; Myasnichenko, V.S.; Neyts, E.C. |
Size-dependent strain and surface energies of gold nanoclusters |
2016 |
Physical chemistry, chemical physics |
18 |
37 |
UA library record; WoS full record; WoS citing articles |
| Mees, M.J.; Pourtois, G.; Rosciano, F.; Put, B.; Vereecken, P.M.; Stesmans, A. |
First-principles material modeling of solid-state electrolytes with the spinel structure |
2014 |
Physical chemistry, chemical physics |
|
8 |
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 |
| 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 |
