| 1 |
First principles investigations of electronics, magnetic, and thermoelectric properties of rare earth based PrYO3(Y = Cr, V) perovskites
Sabir B, Murtaza G, Mahmood Q, Ahmad R, Bhamu KC
Current Applied Physics, 17(11), 1539, 2017 |
| 2 |
The study of electronic, elastic, magnetic and optical response of Zn1-xTixY (Y = S, Se) through mBJ potential
Mahmood Q, Hassan M, Faridi MA, Sabir B, Murtaza G, Mahmood A
Current Applied Physics, 16(5), 549, 2016 |
| 3 |
Comparison of NMR Shieldings Calculated from Hartree-Fock and Density-Functional Wave-Functions Using Gauge-Including Atomic Orbitals
Rauhut G, Puyear S, Wolinski K, Pulay P
Journal of Physical Chemistry, 100(15), 6310, 1996 |
| 4 |
Comparison of the Gaussian and Bessel-Function Exchange Functionals with the Hartree-Fock Exchange for Molecules
Laming GJ, Handy NC, Miller WH
Journal of Physical Chemistry, 99(7), 1880, 1995 |
| 5 |
Density-Functional Theory Study of Vibrational-Spectra .2. Assignment of Fundamental Vibrational Frequencies of Fulvene
Wheeless CJ, Zhou XF, Liu RF
Journal of Physical Chemistry, 99(33), 12488, 1995 |
| 6 |
Property Evaluation Using the Hartree-Fock-Density-Functional-Theory Method - An Efficient Formalism for First-Order and 2nd-Order Properties
Sekino H, Oliphant N, Bartlett RJ
Journal of Chemical Physics, 101(9), 7788, 1994 |
