| 1 |
From Mechanical Effects to Mechanochemistry: Softening and Depression of the Melting Point of Deformed Plastic Crystals
Ahmed E, Karothu DP, Pejov L, Commins P, Hu QC, Naumov P
Journal of the American Chemical Society, 142(25), 11219, 2020 |
| 2 |
Probing Structural Perturbation in a Bent Molecular Crystal with Synchrotron Infrared Microspectroscopy and Periodic Density Functional Theory Calculations
Pejov L, Panda MK, Moriwaki T, Naumov P
Journal of the American Chemical Society, 139(6), 2318, 2017 |
| 3 |
Model for Photoinduced Bending of Slender Molecular Crystals
Nath NK, Pejov L, Nichols SM, Hu CH, Saleh N, Kahr B, Naumov P
Journal of the American Chemical Society, 136(7), 2757, 2014 |
| 4 |
Anharmonic Vibrational Frequency Shifts upon Interaction of Phenol(+) with the Open Shell Ligand O-2. The Performance of DFT Methods versus MP2
Kocevski V, Pejov L
Journal of Physical Chemistry A, 116(8), 1939, 2012 |
| 5 |
The vibrating hydroxide ion in water
Hermansson K, Bopp PA, Spangberg D, Pejov L, Bako I, Mitev PD
Chemical Physics Letters, 514(1-3), 1, 2011 |
| 6 |
Structure and Dynamics of Water Dangling OH Bonds in Hydrophobic Hydration Shells. Comparison of Simulation and Experiment
Tomlinson-Phillips J, Davis J, Ben-Amotz D, Spangberg D, Pejov L, Hermansson K
Journal of Physical Chemistry A, 115(23), 6177, 2011 |
| 7 |
On the Origin of the Solid-State Thermochromism and Thermal Fatigue of Polycyclic Overcrowded Enes
Naumov P, Ishizawa N, Wang J, Pejov L, Pumera M, Lee SC
Journal of Physical Chemistry A, 115(30), 8563, 2011 |
| 8 |
On the Assessment of Some New Meta-Hybrid and Generalized Gradient Approximation Functionals for Calculations of Anharmonic Vibrational Frequency Shifts in Hydrogen-Bonded Dimers
Kocevski V, Pejov L
Journal of Physical Chemistry A, 114(12), 4354, 2010 |
| 9 |
Computational investigation of the weakly bound dimers HOX center dot center dot center dot SO3 (X = F, Cl, Br)
Solimannejad M, Pejov L
Journal of Physical Chemistry A, 109(5), 825, 2005 |
| 10 |
Using MD snapshots in ab initio and DFT calculations: OH vibrations in the first hydration shell around Li+(aq)
Pejov L, Spangberg D, Hermansson K
Journal of Physical Chemistry A, 109(23), 5144, 2005 |
