| 1 |
Theoretical estimation of the apparent rate constants for ozone decomposition in gas and aqueous phases using ab initio calculations
Esfahani MP, Wu CC, De Visscher A
Canadian Journal of Chemical Engineering, 98(1), 274, 2020 |
| 2 |
Frequency-dependent polarizabilities of diatomic molecules: Density functional theory and ab initio methods compared with quantum-defect Green function technique
Kornev AS, Suvorov KI, Chernov VE, Zon BA
Chemical Physics Letters, 711, 42, 2018 |
| 3 |
The Reduction Potential of Diphenyliodonium Polymerisation Photoinitiator Is Not-0.2 V vs. SCE. A Computational Study
Romanczyk PP, Kurek SS
Electrochimica Acta, 255, 482, 2017 |
| 4 |
Binding energy of d(10) transition metals to alkenes by wave function theory and density functional theory
Averkiev BB, Zhao Y, Truhlar DG
Journal of Molecular Catalysis A-Chemical, 324(1-2), 80, 2010 |
| 5 |
Electronic absorption spectra of C2nH-,C2n-1N- (n=4-7), and C2n-1N (n=3-7) chains in neon matrices
Grutter M, Wyss M, Maier JP
Journal of Chemical Physics, 110(3), 1492, 1999 |
| 6 |
A systematic application of density functional theory to some carbon-containing molecules and their anions
Brown ST, Rienstra-Kiracofe JC, Schaefer HF
Journal of Physical Chemistry A, 103(20), 4065, 1999 |
| 7 |
Rovibrational effects, temperature dependence, and isotope effects on the nuclear shielding tensors of water : A new O-17 absolute shielding scale
Vaara J, Lounila J, Ruud K, Helgaker T
Journal of Chemical Physics, 109(19), 8388, 1998 |
| 8 |
Electric Polarizability and Hyperpolarizability of Carbon-Monoxide
Maroulis G
Journal of Physical Chemistry, 100(32), 13466, 1996 |
| 9 |
Static Hyperpolarizability of N-2
Archibong EF, Thakkar AJ
Journal of Chemical Physics, 100(10), 7471, 1994 |
