| Year |
Citation |
Score |
| 2021 |
Partovi-Azar P, Kühne TD. Full Assignment of Ab-Initio Raman Spectra at Finite Temperatures Using Wannier Polarizabilities: Application to Cyclohexane Molecule in Gas Phase. Micromachines. 12. PMID 34683263 DOI: 10.3390/mi12101212 |
0.541 |
|
| 2017 |
Partovi-Azar P, Kaghazchi P. Time-dependent density functional theory study on direction-dependent electron and hole transfer processes in molecular systems. Journal of Computational Chemistry. PMID 28101985 DOI: 10.1002/Jcc.24730 |
0.304 |
|
| 2016 |
Partovi-Azar P, Berg M, Sanna S, Kühne TD. Improved parameterization of the quantum harmonic oscillator model based on localized wannier functions to describe Van der Waals interactions in density functional theory International Journal of Quantum Chemistry. DOI: 10.1002/Qua.25150 |
0.498 |
|
| 2016 |
Partovi-Azar P, Kühne TD. Many-body dispersion interactions for periodic systems based on maximally localized Wannier functions: Application to graphene/water systems Physica Status Solidi (B) Basic Research. 253: 308-313. DOI: 10.1002/Pssb.201552236 |
0.58 |
|
| 2015 |
Partovi-Azar P, Kühne TD. Efficient "on-the-fly" calculation of Raman spectra from ab-initio molecular dynamics: Application to hydrophobic/hydrophilic solutes in bulk water. Journal of Computational Chemistry. 36: 2188-92. PMID 26399577 DOI: 10.1002/Jcc.24198 |
0.628 |
|
| 2015 |
Partovi-Azar P, Kühne TD, Kaghazchi P. Evidence for the existence of Li2S2 clusters in lithium-sulfur batteries: ab initio Raman spectroscopy simulation. Physical Chemistry Chemical Physics : Pccp. 17: 22009-14. PMID 26235886 DOI: 10.1039/C5Cp02781K |
0.548 |
|
| 2013 |
Mashaghi A, Partovi-Azar P, Jadidi T, Anvari M, Jand SP, Nafari N, Tabar MRR, Maass P, Bakker HJ, Bonn M. Enhanced autoionization of water at phospholipid interfaces Journal of Physical Chemistry C. 117: 510-514. DOI: 10.1021/Jp3119617 |
0.592 |
|
| 2012 |
Mashaghi A, Partovi-Azar P, Jadidi T, Nafari N, Esfarjani K, Maass P, Tabar MR, Bakker HJ, Bonn M. Interfacial water facilitates energy transfer by inducing extended vibrations in membrane lipids. The Journal of Physical Chemistry. B. 116: 6455-60. PMID 22594454 DOI: 10.1021/Jp302478A |
0.351 |
|
| 2012 |
Mashaghi A, Partovi-Azar P, Jadidi T, Nafari N, Maass P, Tabar MR, Bonn M, Bakker HJ. Hydration strongly affects the molecular and electronic structure of membrane phospholipids. The Journal of Chemical Physics. 136: 114709. PMID 22443792 DOI: 10.1063/1.3694280 |
0.446 |
|
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