| Multiconfigurational second-order perturbation theory restricted active space (RASPT2) studies on mononuclear first-row transition-metal systems S Vancoillie, H Zhao, VT Tran, MFA Hendrickx, K Pierloot Journal of Chemical Theory and Computation 7 (12), 3961-3977, 2011 | 152 | 2011 |
| Conformational, electronic and antioxidant properties of lucidone, linderone and methyllinderone: DFT, QTAIM and NBO studies MM Kabanda, VT Tran, KM Seema, KRN Serobatse, TJ Tsiepe, QT Tran, ... Molecular Physics 113 (7), 683-697, 2015 | 40 | 2015 |
| A computational study of pyrazinamide: tautomerism, acid–base properties, micro-solvation effects and acid hydrolysis mechanism MM Kabanda, VT Tran, QT Tran, EE Ebenso Computational and Theoretical Chemistry 1046, 30-41, 2014 | 32 | 2014 |
| Description of the geometric and electronic structures responsible for the photoelectron spectrum of FeO4− VT Tran, MFA Hendrickx The Journal of chemical physics 135 (9), 2011 | 32 | 2011 |
| 1H-1, 2, 4-Triazole as solvent for imidazolium methanesulfonate J Luo, T Van Tan, O Conrad, IFJ Vankelecom Physical Chemistry Chemical Physics 14 (32), 11441-11447, 2012 | 31 | 2012 |
| Meromorphic functions sharing four small functions VT Tran Abdus Salam International Centre for Theoretical Physics, 2008 | 30 | 2008 |
| Computational Investigation of the Geometrical and Electronic Structures of VGen–/0 (n = 1–4) Clusters by Density Functional Theory and Multiconfigurational … VT Tran, MT Nguyen, QT Tran The Journal of Physical Chemistry A 121 (40), 7787-7796, 2017 | 21 | 2017 |
| Assignment of the Photoelectron Spectra of FeS3– by Density Functional Theory, CASPT2, and RCCSD(T) Calculations VT Tran, MFA Hendrickx The Journal of Physical Chemistry A 115 (47), 13956-13964, 2011 | 21 | 2011 |
| On the Electronic and Geometric Structures of FeO2–/0 and the Assignment of the Anion Photoelectron Spectrum MFA Hendrickx, VT Tran Journal of Chemical Theory and Computation 8 (9), 3089-3096, 2012 | 20 | 2012 |
| A CASPT2 Description of the Electronic Structures of FeO3−/0 in Relevance to the Anion Photoelectron Spectrum VT Tran, MFA Hendrickx Journal of Chemical Theory and Computation 7 (2), 310-319, 2011 | 18 | 2011 |
| Spin State Energetics of VGe n−/0 (n = 5–7) Clusters and New Assignments of the Anion Photoelectron Spectra VT Tran, QT Tran Journal of Computational Chemistry 39 (25), 2103-2109, 2018 | 16 | 2018 |
| Quantum Chemical Study of the Low-Lying Electronic States of VSi3–/0 Clusters and Interpretation of the Anion Photoelectron Spectrum VT Tran, QT Tran The Journal of Physical Chemistry A 120 (29), 5950-5957, 2016 | 16 | 2016 |
| Spin–Orbit Splittings and Low-Lying Electronic States of AuSi and AuGe: Anion Photoelectron Spectroscopy and ab Initio Calculations QT Tran, SJ Lu, LJ Zhao, XL Xu, HG Xu, VT Tran, J Li, WJ Zheng The Journal of Physical Chemistry A 122 (13), 3374-3382, 2018 | 15 | 2018 |
| A CASSCF/CASPT2 investigation on electron detachments from ScSi n−(n= 4–6) clusters MT Nguyen, QT Tran, VT Tran Journal of molecular modeling 23 (10), 1-13, 2017 | 15 | 2017 |
| Quantum chemical study of the electronic structures of MnC2-/0 clusters and interpretation of the anion photoelectron spectra T Van Tan, C Iftner, MFA Hendrickx Chemical Physics Letters 575, 46-53, 2013 | 15 | 2013 |
| The Electronic Structures of CoGen–/0 (n = 1–3) Clusters from Multiconfigurational CASSCF/CASPT2 and RASSCF/RASPT2 Calculations VT Tran, QT Tran The Journal of Physical Chemistry A 122 (31), 6407-6415, 2018 | 14 | 2018 |
| Elucidating the Electronic Structures of the Ground States of the VO2–/0 Clusters: Synergism between Computation and Experiment MFA Hendrickx, VT Tran Journal of Chemical Theory and Computation 10 (9), 4037-4044, 2014 | 14 | 2014 |
| A new interpretation of the photoelectron spectrum of VSi4− cluster by density functional theory and multiconfigurational CASSCF/CASPT2 calculations XMT Tran, MT Nguyen, HT Nguyen, QT Tran Chemical Physics Letters 690, 140-146, 2017 | 13 | 2017 |
| Molecular Structures for FeS4–/0 As Determined from an ab Initio Study of the Anion Photoelectron Spectra VT Tran, MFA Hendrickx The Journal of Physical Chemistry A 117 (15), 3227-3234, 2013 | 13 | 2013 |
| A density matrix renormalization group investigation on the electronic states of MnGen−/0/+ (n = 1–3) clusters VT Tran, QT Tran International Journal of Quantum Chemistry 121 (10), e26619, 2021 | 12 | 2021 |
