|
Author |
Title |
Year |
Publication |
Volume |
Times cited |
Additional Links |
Links |
|
Bal, K.M.; Neyts, E.C. |
Merging Metadynamics into Hyperdynamics: Accelerated Molecular Simulations Reaching Time Scales from Microseconds to Seconds |
2015 |
Journal of chemical theory and computation |
11 |
41 |
UA library record; WoS full record; WoS citing articles |
|
|
Tchakoua, T.; Gerrits, N.; Smeets, E.W.F.; Kroes, G.-J. |
SBH17 : benchmark database of barrier heights for dissociative chemisorption on transition metal surfaces |
2023 |
Journal of chemical theory and computation |
19 |
|
UA library record; WoS full record; WoS citing articles |
|
|
Bal, K.M. |
Reweighted Jarzynski sampling : acceleration of rare events and free energy calculation with a bias potential learned from nonequilibrium work |
2021 |
Journal Of Chemical Theory And Computation |
17 |
|
UA library record; WoS full record; WoS citing articles |
|
|
Nivesanond, K.; Peeters, A.; Lamoen, D.; van Alsenoy, C. |
Conformational analysis of TMC114, a novel HIV-1 protease inhibitor |
2008 |
Journal of Chemical Information and Modeling |
48 |
13 |
UA library record; WoS full record; WoS citing articles |
|
|
Oliveira, M.C.; Yusupov, M.; Bogaerts, A.; Cordeiro, R.M. |
Lipid Oxidation: Role of Membrane Phase-Separated Domains |
2021 |
Journal Of Chemical Information And Modeling |
61 |
|
UA library record; WoS full record; WoS citing articles |
|
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Ghasemitarei, M.; Privat-Maldonado, A.; Yusupov, M.; Rahnama, S.; Bogaerts, A.; Ejtehadi, M.R. |
Effect of Cysteine Oxidation in SARS-CoV-2 Receptor-Binding Domain on Its Interaction with Two Cell Receptors: Insights from Atomistic Simulations |
2022 |
Journal Of Chemical Information And Modeling |
62 |
|
UA library record; WoS full record; WoS citing articles |
|
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Cassiers, K.; van der Voort, P.; Linssen, T.; Vansant, E.F.; Lebedev, O.; van Landuyt, J. |
A counterion-catalyzed (S0H+)(X-I+) pathway toward heat- and steam-stable mesostructured silica assembled from amines in acidic conditions |
2003 |
The journal of physical chemistry : B : condensed matter, materials, surfaces, interfaces and biophysical |
107 |
9 |
UA library record; WoS full record; WoS citing articles |
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Collart, O.; Cool, P.; van der Voort, P.; Meynen, V.; Vansant, E.F.; Houthoofd, K.J.; Grobet, P.J.; Lebedev, O.I.; Van Tendeloo, G. |
Aluminum incorporation into MCM-48 toward the creation of Brønsted acidity |
2004 |
The journal of physical chemistry : B : condensed matter, materials, surfaces, interfaces and biophysical |
108 |
13 |
UA library record; WoS full record; WoS citing articles |
|
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Howard, I.A.; Zutterman, F.; Deroover, G.; Lamoen, D.; van Alsenoy, C. |
Approaches to calculation of exciton interaction energies for a molecular dimer |
2004 |
Journal Of Physical Chemistry B |
108 |
35 |
UA library record; WoS full record; WoS citing articles |
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|
Kolen'ko, Y.V.; Kovnir, K.A.; Gavrilov, A.I.; Garshev, A.V.; Frantti, J.; Lebedev, O.I.; Churagulov, B.R.; Van Tendeloo, G.; Yoshimura, M. |
Hydrothermal synthesis and characterization of nanorods of various titanates and titanium dioxide |
2006 |
The journal of physical chemistry : B : condensed matter, materials, surfaces, interfaces and biophysical |
110 |
234 |
UA library record; WoS full record; WoS citing articles |
|
|
Liu, S.; Cool, P.; Collart, O.; van der Voort, P.; Vansant, E.F.; Lebedev, O.I.; Van Tendeloo, G.; Jiang, M. |
The influence of the alcohol concentration on the structural ordering of mesoporous silica: cosurfactant versus cosolvent |
2003 |
The journal of physical chemistry : B : condensed matter, materials, surfaces, interfaces and biophysical |
107 |
134 |
UA library record; WoS full record; WoS citing articles |
|
|
Stevens, W.J.J.; Lebeau, K.; Mertens, M.; Van Tendeloo, G.; Cool, P.; Vansant, E.F. |
Investigation of the morphology of the mesoporous SBA-16 and SBA-15 materials |
2006 |
The journal of physical chemistry : B : condensed matter, materials, surfaces, interfaces and biophysical |
110 |
109 |
UA library record; WoS full record; WoS citing articles |
|
|
Linssen, T.; Cool, P.; Baroudi, M.; Cassiers, K.; Vansant, E.F.; Lebedev, O.; van Landuyt, J. |
Leached natural saponite as the silicate source in the synthesis of aluminosilicate hexagonal mesoporous materials |
2002 |
The journal of physical chemistry : B : condensed matter, materials, surfaces, interfaces and biophysical |
106 |
23 |
UA library record; WoS full record; WoS citing articles |
|
|
Kolen'ko, Y.V.; Kovnir, K.A.; Gavrilov, A.I.; Garshev, A.V.; Meskin, P.E.; Churagulov, B.R.; Bouchard, M.; Colbeau-Justin, C.; Lebedev, O.I.; Van Tendeloo, G.; Yoshimura, M. |
Structural, textural, and electronic properties of a nanosized mesoporous ZnxTi1-xO2-x solid solution prepared by a supercritical drying route |
2005 |
Journal of physical chemistry B |
109 |
34 |
UA library record; WoS full record; WoS citing articles |
|
|
Cordeiro, R.M.; Yusupov, M.; Razzokov, J.; Bogaerts, A. |
Parametrization and Molecular Dynamics Simulations of Nitrogen Oxyanions and Oxyacids for Applications in Atmospheric and Biomolecular Sciences |
2020 |
Journal Of Physical Chemistry B |
124 |
|
UA library record; WoS full record; WoS citing articles |
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Mallick, S.; Khalsa, G.; Kaaret, J.Z.; Zhang, W.; Batuk, M.; Gibbs, A.S.; Hadermann, J.; Halasyamani, P.S.; Benedek, N.A.; Hayward, M.A. |
The influence of the 6s² configuration of Bi³+ on the structures of A ' BiNb₂O₇ (A ' = Rb, Na, Li) layered perovskite oxides |
2021 |
Journal of the Chemical Society : Dalton transactions |
50 |
|
UA library record; WoS full record; WoS citing articles |
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Tyablikov, O.A.; Batuk, D.; Tsirlin, A.A.; Batuk, M.; Verchenko, V.Y.; Filimonov, D.S.; Pokholok, K.V.; Sheptyakov, D.V.; Rozova, M.G.; Hadermann, J.; Antipov, E.V.; Abakumov, A.M.; |
{110}-Layered B-cation ordering in the anion-deficient perovskite Pb2.4Ba2.6Fe2Sc2TiO13 with the crystallographic shear structure |
2015 |
Journal of the Chemical Society : Dalton transactions |
44 |
1 |
UA library record; WoS full record; WoS citing articles |
|
|
Lin, F.; Meng; Kukueva, E.; Altantzis, T.; Mertens, M.; Bals, S.; Cool, P.; Van Doorslaer, S. |
Direct-synthesis method towards copper-containing periodic mesoporous organosilicas : detailed investigation of the copper distribution in the material |
2015 |
Journal of the Chemical Society : Dalton transactions |
44 |
11 |
UA library record; WoS full record; WoS citing articles |
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Mikhailova, D.; Reichel, P.; Tsirlin, A.A.; Abakumov, A.M.; Senyshyn, A.; Mogare, K.M.; Schmidt, M.; Kuo, C.Y.; Pao, C.W.; Pi, T.W.; Lee, J.F.; Hu, Z.; Tjeng, L.H.; |
Oxygen-driven competition between low-dimensional structures of Sr3CoMO6 and Sr3CoMO7-\delta with M = Ru,Ir |
2014 |
Journal of the Chemical Society : Dalton transactions |
43 |
7 |
UA library record; WoS full record; WoS citing articles |
|
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Tyutyunnik, A.P.; Slobodin, B.V.; Samigullina, R.F.; Verberck, B.; Tarakina, N.V. |
K2CaV2O7 : a pyrovanadate with a new layered type of structure in the A2BV2O7 family |
2013 |
Journal of the Chemical Society : Dalton transactions |
42 |
3 |
UA library record; WoS full record; WoS citing articles |
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Paria Sena, R.; Babaryk, A.A.; Khainakov, S.; Garcia-Granda, S.; Slobodyanik, N.S.; Van Tendeloo, G.; Abakumov, A.M.; Hadermann, J. |
A pseudo-tetragonal tungsten bronze superstructure: a combined solution of the crystal structure of K6.4(Nb,Ta)36.3O94 with advanced transmission electron microscopy and neutron diffraction |
2016 |
Journal of the Chemical Society : Dalton transactions |
45 |
6 |
UA library record; WoS full record; WoS citing articles |
|
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Hasanli, N.; Gauquelin, N.; Verbeeck, J.; Hadermann, J.; Hayward, M.A. |
Small-moment paramagnetism and extensive twinning in the topochemically reduced phase Sr2ReLiO5.5 |
2018 |
Journal of the Chemical Society : Dalton transactions |
47 |
|
UA library record; WoS full record |
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Mallick, S.; Zhang, W.; Batuk, M.; Gibbs, A.S.; Hadermann, J.; Halasyamani, P.S.; Hayward, M.A. |
The crystal and defect structures of polar KBiNb2O7 |
2022 |
Journal of the Chemical Society : Dalton transactions |
51 |
|
UA library record; WoS full record |
|
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Van Eynde, E.; Tytgat, T.; Smits, M.; Verbruggen, S.W.; Hauchecorne, B.; Lenaerts, S. |
Biotemplated diatom silica-titania materials for air purification |
2013 |
Photochemical & photobiological sciences |
12 |
18 |
UA library record; WoS full record; WoS citing articles |
|
|
Desmet, N.J.S.; van Belleghem, S.; Seuntjens, P.; Bouma, T.J.; Buis, K.; Meire, P. |
Quantification of the impact of macrophytes on oxygen dynamics and nitrogen retention in a vegetated lowland river |
2011 |
Physics and chemistry of the earth, parts A/B/C |
36 |
|
UA library record; WoS full record; WoS citing articles |
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De Schouwer, F.; Claes, L.; Claes, N.; Bals, S.; Degrève, J.; De Vos, D.E. |
Pd-catalyzed decarboxylation of glutamic acid and pyroglutamic acid to bio-based 2-pyrrolidone |
2015 |
Green chemistry : cutting-edge research for a greener sustainable future |
17 |
47 |
UA library record; WoS full record; WoS citing articles |
|
|
Thomassen, G.; Van Dael, M.; You, F.; Van Passel, S. |
A multi-objective optimization-extended techno-economic assessment : exploring the optimal microalgal-based value chain |
2019 |
Green Chemistry |
21 |
1 |
UA library record; WoS full record; WoS citing articles |
|
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Thomassen, G.; Van Dael, M.; Van Passel, S.; You, F. |
How to assess the potential of emerging green technologies? Towards a prospective environmental and techno-economic assessment framework |
2019 |
Green Chemistry |
21 |
5 |
UA library record; WoS full record; WoS citing articles |
|
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Van Schoubroeck, S.; Thomassen, G.; Van Passel, S.; Malina, R.; Springael, J.; Lizin, S.; Venditti, R.A.; Yao, Y.; Van Dael, M. |
An integrated techno-sustainability assessment (TSA) framework for emerging technologies |
2021 |
Green Chemistry |
23 |
|
UA library record; WoS full record; WoS citing articles |
|
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Windels, S.; Diefenhardt, T.; Jain, N.; Marquez, C.; Bals, S.; Schlummer, M.; De Vos, D.E. |
Catalytic upcycling of PVC waste-derived phthalate esters into safe, hydrogenated plasticizers |
2022 |
Green chemistry : cutting-edge research for a greener sustainable future |
24 |
8 |
UA library record; WoS full record; WoS citing articles |
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