| 1 |
Quartic anharmonicity and ultra-low lattice thermal conductivity of alkali antimonide compounds M3Sb (M = K, Rb and Cs)
Zhong Q, Dai ZH, Wang WQ, Zhao YC, Meng S
International Journal of Energy Research, 45(5), 6958, 2021 |
| 2 |
Oxidation kinetics of n-pentanol: A theoretical study of the reactivity of the 1-hydroxy-1-peroxypentyl radical
Duan YZ, Monge-Palacios M, Grajales-Gonzalez E, Han D, Moller KH, Kjaergaard HG, Sarathy SM
Combustion and Flame, 219, 20, 2020 |
| 3 |
Theoretical calculation of enthalpy of formation of multiconformational molecules: 1,2-ethanediol, propanediols, and glycerol
Dorofeeva OV, Suchkova TA
Chemical Physics Letters, 698, 218, 2018 |
| 4 |
Electrical anharmonicity and dampings contributions to Cl-(H)over-right-arrow stretching band in gaseous (CH3)(2)O center dot center dot center dot HCl complex: Quantum dynamic study and prediction of the temperature effects
Rekik N, Alshammari MF
Chemical Physics Letters, 678, 222, 2017 |
| 5 |
Partition functions of thermally dissociating diatomic molecules and related momentum problem
Buchowiecki M
Chemical Physics Letters, 687, 227, 2017 |
| 6 |
Computational study of the vibrational spectroscopy properties of boron-hydrogen compounds: Mg(B3H8)(2), CB9H10- and CB11H12-
Sethio D, Daku LML, Hagemann H
International Journal of Hydrogen Energy, 42(35), 22496, 2017 |
| 7 |
The ratios of partition functions at different temperatures -Sensitivity to potential energy shape II
Buchowiecki M
Chemical Physics Letters, 652, 32, 2016 |
| 8 |
A theoretical study of the spectroscopic properties of B2H6 and of a series of BxHyz- species (x=1-12, y=3-14, z=0-2): From BH3 to B12H122-
Sethio D, Daku LML, Hagemann H
International Journal of Hydrogen Energy, 41(16), 6814, 2016 |
| 9 |
Lattice dynamics and anharmonicity of CaZrF6 from Raman spectroscopy and ab initio calculations
Sanson A, Giarola M, Mariotto G, Hu L, Chen J, Xing XR
Materials Chemistry and Physics, 180, 213, 2016 |
| 10 |
Relaxation dynamics and fragility during liquid-glass transitions of poly(propylene glycol)s
Koda S, Shibata T, Park IS, Kojima S
Current Applied Physics, 15(7), 805, 2015 |
