| 1 |
Improving Performance of the SMD Solvation Model: Bondi Radii Improve Predicted Aqueous Solvation Free Energies of Ions and pK(a) Values of Thiols
Mirzaei S, Ivanov MV, Timerghazin QK
Journal of Physical Chemistry A, 123(44), 9498, 2019 |
| 2 |
Genetic Algorithm Optimization of Point Charges in Force Field Development: Challenges and Insights
Ivanov MV, Talipov MR, Timerghazin QK
Journal of Physical Chemistry A, 119(8), 1422, 2015 |
| 3 |
Structure, Stability, and Substituent Effects in Aromatic S-Nitrosothiols: The Crucial Effect of a Cascading Negative Hyperconjugation/Conjugation Interaction
Flister M, Timerghazin QK
Journal of Physical Chemistry A, 118(42), 9914, 2014 |
| 4 |
No Longer a Complex, Not Yet a Molecule: A Challenging Case of Nitrosyl O-Hydroxide, HOON
Talipov MR, Timerghazin QK, Safiullin RL, Khursan SL
Journal of Physical Chemistry A, 117(3), 679, 2013 |
| 5 |
Protein Control of S-Nitrosothiol Reactivity: Interplay of Antagonistic Resonance Structures
Talipov MR, Timerghazin QK
Journal of Physical Chemistry B, 117(6), 1827, 2013 |
| 6 |
Can a Dipole-Bound Electron Form a Pseudo-Atom? An Atoms-In-Molecules Study of the Hydrated Electron
Timerghazin QK, Rizvi I, Peslherbe GH
Journal of Physical Chemistry A, 115(45), 13201, 2011 |
| 7 |
Kinetics and Mechanism of S-Nitrosothiol Add-Catalyzed Hydrolysis: Sulfur Activation Promotes Facile NO+ Release
Moran EE, Timerghazin QK, Kwong E, English AM
Journal of Physical Chemistry B, 115(12), 3112, 2011 |
| 8 |
On the multireference character of S-nitrosothiols: A theoretical study of HSNO
Timerghazin QK, English AM, Peslherbe GH
Chemical Physics Letters, 454(1-3), 24, 2008 |
| 9 |
Electronic structure of the acetonitrile and acetonitrile dimer anions: A topological investigation
Timerghazin QK, Peslherbe GH
Journal of Physical Chemistry B, 112(2), 520, 2008 |
| 10 |
Computational prediction of absorbance maxima for a structurally diverse series of engineered green fluorescent protein chromophores
Timerghazin QK, Carlson HJ, Liang C, Campbell RE, Brown A
Journal of Physical Chemistry B, 112(8), 2533, 2008 |
