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Author |
Title |
Year |
Publication |
Volume |
Times cited |
Additional Links |
Links |
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|
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 |
|
|
|
Vermeyen, T.; Brence, J.; Van Echelpoel, R.; Aerts, R.; Acke, G.; Bultinck, P.; Herrebout, W. |
Exploring machine learning methods for absolute configuration determination with vibrational circular dichroism |
2021 |
Physical Chemistry Chemical Physics |
23 |
|
UA library record; WoS full record; WoS citing articles |
|
|
|
Yorulmaz, U.; Šabani, D.; Yagmurcukardes, M.; Sevik, C.; Milošević, M.V. |
High-throughput analysis of tetragonal transition metal Xenes |
2022 |
Physical chemistry, chemical physics |
24 |
1 |
UA library record; WoS full record; WoS citing articles |
|
|
|
Bal, K.M.; Neyts, E.C. |
Extending and validating bubble nucleation rate predictions in a Lennard-Jones fluid with enhanced sampling methods and transition state theory |
2022 |
Journal Of Chemical Physics |
157 |
|
UA library record; WoS full record; WoS citing articles |
|
|
|
Demirkol, Ö.; Sevik, C.; Demiroğlu, I. |
First principles assessment of the phase stability and transition mechanisms of designated crystal structures of pristine and Janus transition metal dichalcogenides |
2022 |
Physical chemistry, chemical physics |
24 |
|
UA library record; WoS full record; WoS citing articles |
|
|
|
Sozen, Y.; Yagmurcukardes, M.; Sahin, H. |
Vibrational and optical identification of GeO₂ and GeO single layers : a first-principles study |
2021 |
Physical Chemistry Chemical Physics |
23 |
|
UA library record; WoS full record; WoS citing articles |
|
|
|
Baskurt, M.; Nair, R.R.; Peeters, F.M.; Sahin, H. |
Ultra-thin structures of manganese fluorides : conversion from manganese dichalcogenides by fluorination |
2021 |
Physical Chemistry Chemical Physics |
23 |
1 |
UA library record; WoS full record; WoS citing articles |
|
|
|
Bafekry, A.; Karbasizadeh, S.; Stampfl, C.; Faraji, M.; Hoat, D.M.; Sarsari, I.A.; Feghhi, S.A.H.; Ghergherehchi, M. |
Two-dimensional Janus semiconductor BiTeCl and BiTeBr monolayers : a first-principles study on their tunable electronic properties via an electric field and mechanical strain |
2021 |
Physical Chemistry Chemical Physics |
23 |
|
UA library record; WoS full record; WoS citing articles |
|
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|
Naseri, M.; Bafekry, A.; Faraji, M.; Hoat, D.M.; Fadlallah, M.M.; Ghergherehchi, M.; Sabbaghi, N.; Gogova, D. |
Two-dimensional buckled tetragonal cadmium chalcogenides including CdS, CdSe, and CdTe monolayers as photo-catalysts for water splitting |
2021 |
Physical Chemistry Chemical Physics |
23 |
|
UA library record; WoS full record; WoS citing articles |
|
|
|
Faraji, M.; Bafekry, A.; Fadlallah, M.M.; Molaei, F.; Hieu, N.N.; Qian, P.; Ghergherehchi, M.; Gogova, D. |
Surface modification of titanium carbide MXene monolayers (Ti₂C and Ti₃C₂) via chalcogenide and halogenide atoms |
2021 |
Physical Chemistry Chemical Physics |
23 |
|
UA library record; WoS full record; WoS citing articles |
|
|
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Nazar, N.D.; Vazifehshenas, T.; Ebrahimi, M.R.; Peeters, F.M. |
Strong anisotropic optical properties of 8-Pmmn borophene : a many-body perturbation study |
2021 |
Physical Chemistry Chemical Physics |
23 |
4 |
UA library record; WoS full record |
|
|
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Chaney, G.; Cakir, D.; Peeters, F.M.; Ataca, C. |
Stability of adsorption of Mg and Na on sulfur-functionalized MXenes |
2021 |
Physical Chemistry Chemical Physics |
23 |
7 |
UA library record; WoS full record; WoS citing articles |
|
|
|
Bafekry, A.; Faraji, M.; Fadlallah, M.M.; Jappor, H.R.; Karbasizadeh, S.; Ghergherehchi, M.; Sarsari, I.A.; Ziabari, A.A. |
Novel two-dimensional AlSb and InSb monolayers with a double-layer honeycomb structure : a first-principles study |
2021 |
Physical Chemistry Chemical Physics |
23 |
|
UA library record; WoS full record; WoS citing articles |
|
|
|
Bafekry, A.; Yagmurcukardes, M.; Akgenc, B.; Ghergherehchi, M.; Mortazavi, B. |
First-principles investigation of electronic, mechanical and thermoelectric properties of graphene-like XBi (X = Si, Ge, Sn) monolayers |
2021 |
Physical Chemistry Chemical Physics |
23 |
|
UA library record; WoS full record; WoS citing articles |
|
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Bafekry, A.; Gogova, D.; M. Fadlallah, M.; V. Chuong, N.; Ghergherehchi, M.; Faraji, M.; Feghhi, S.A.H.; Oskoeian, M. |
Electronic and optical properties of two-dimensional heterostructures and heterojunctions between doped-graphene and C- and N-containing materials |
2021 |
Physical Chemistry Chemical Physics |
23 |
|
UA library record; WoS full record; WoS citing articles |
|
|
|
Hamid, I.; Jalali, H.; Peeters, F.M.; Neek-Amal, M. |
Abnormal in-plane permittivity and ferroelectricity of confined water : from sub-nanometer channels to bulk |
2021 |
Journal Of Chemical Physics |
154 |
13 |
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 |
|
|
|
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 |
|
|
|
Baskurt, M.; Yagmurcukardes, M.; Peeters, F.M.; Sahin, H. |
Stable single-layers of calcium halides (CaX₂, X = F, Cl, Br, I) |
2020 |
Journal Of Chemical Physics |
152 |
14 |
UA library record; WoS full record; WoS citing articles |
|
|
|
Obeid, M.M.; Stampfl, C.; Bafekry, A.; Guan, Z.; Jappor, H.R.; Nguyen, C., V; Naseri, M.; Hoat, D.M.; Hieu, N.N.; Krauklis, A.E.; Tuan V Vu; Gogova, D. |
First-principles investigation of nonmetal doped single-layer BiOBr as a potential photocatalyst with a low recombination rate |
2020 |
Physical Chemistry Chemical Physics |
22 |
18 |
UA library record; WoS full record; WoS citing articles |
|
|
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Bafekry, A.; Stampfl, C.; Akgenc, B.; Mortazavi, B.; Ghergherehchi, M.; Nguyen, C.V. |
Embedding of atoms into the nanopore sites of the C₆N₆ and C₆N₈ porous carbon nitride monolayers with tunable electronic properties |
2020 |
Physical Chemistry Chemical Physics |
22 |
17 |
UA library record; WoS full record; WoS citing articles |
|
|
|
Bafekry, A.; Stampfl, C.; Akgenc, B.; Ghergherehchi, M. |
Control of C3N4 and C4N3 carbon nitride nanosheets' electronic and magnetic properties through embedded atoms |
2020 |
Physical Chemistry Chemical Physics |
22 |
18 |
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 |
|
|
|
Heirman, P.; Van Boxem, W.; Bogaerts, A. |
Reactivity and stability of plasma-generated oxygen and nitrogen species in buffered water solution: a computational study |
2019 |
Physical chemistry, chemical physics |
21 |
7 |
UA library record; WoS full record; WoS citing articles |
|
|
|
Van der Paal, J.; Hong, S.-H.; Yusupov, M.; Gaur, N.; Oh, J.-S.; Short, R.D.; Szili, E.J.; Bogaerts, A. |
How membrane lipids influence plasma delivery of reactive oxygen species into cells and subsequent DNA damage : an experimental and computational study |
2019 |
Physical chemistry, chemical physics |
21 |
1 |
UA library record; WoS full record; WoS citing articles |
|
|
|
Loreto, S.; Cuypers, B.; Brokken, J.; Van Doorslaer, S.; De Wael, K.; Meynen, V. |
The effect of the buffer solution on the adsorption and stability of horse heart myoglobin on commercial mesoporous titanium dioxide : a matter of the right choice |
2017 |
Physical chemistry, chemical physics |
19 |
2 |
UA library record; WoS full record; WoS citing articles |
|
|
|
Bafekry, A.; Ghergherehchi, M.; Shayesteh, S.F. |
Tuning the electronic and magnetic properties of antimonene nanosheets via point defects and external fields: first-principles calculations |
2019 |
Physical chemistry, chemical physics |
21 |
17 |
UA library record; WoS full record; WoS citing articles |
|
|
|
Nakhaee, M.; Yagmurcukardes, M.; Ketabi, S.A.; Peeters, F.M. |
Single-layer structures of a100- and b010-Gallenene : a tight-binding approach |
2019 |
Physical chemistry, chemical physics |
21 |
14 |
UA library record; WoS full record; WoS citing articles |
|
|
|
de Aquino, B.R.H.; Ghorbanfekr-Kalashami, H.; Neek-Amal, M.; Peeters, F.M. |
Ionized water confined in graphene nanochannels |
2019 |
Physical chemistry, chemical physics |
21 |
10 |
UA library record; WoS full record; WoS citing articles |
|
|
|
Bafekry, A.; Shayesteh, S.F.; Peeters, F.M. |
Introducing novel electronic and magnetic properties in C3N nanosheets by defect engineering and atom substitution |
2019 |
Physical chemistry, chemical physics |
21 |
59 |
UA library record; WoS full record; WoS citing articles |
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