| 1 |
Reactions of beta-hydroxypropyl radicals with O-2 on the HOC3H6OO center dot potential energy surfaces: A theoretical study
Liu MX, Liu ML, Yao XX, Li ZR, Wang JB, Tan NX, Li XY
Combustion and Flame, 211, 202, 2020 |
| 2 |
Conversion of acenaphthalene to phenalene via methylation: A theoretical study
Porfiriev DP, Azyazov VN, Mebel AM
Combustion and Flame, 213, 302, 2020 |
| 3 |
A new potential energy surface of the LiHO+ system and the dynamics studies of the O + LiH+ reaction
He D, Zhang TQ, Yuan JC, Wang MS
Chemical Physics Letters, 715, 123, 2019 |
| 4 |
Cross second virial coefficient and dilute gas transport properties of the (H2O + CO2) system from first-principles calculations
Hellmann R
Fluid Phase Equilibria, 485, 251, 2019 |
| 5 |
Modeling palladium surfaces with density functional theory, neural networks and molecular dynamics
Gao TY, Kitchin JR
Catalysis Today, 312, 132, 2018 |
| 6 |
Dehydrogenation involved Coulomb explosion of molecular C2H4FBr in an intense laser field
Pei MJ, Yang Y, Zhang J, Sun ZR
Chemical Physics Letters, 697, 53, 2018 |
| 7 |
Kinetic and mechanisms of methanimine reactions with singlet and triplet molecular oxygen: Substituent and catalyst effects
Asgharzadeh S, Vahedpour M
Chemical Physics Letters, 702, 57, 2018 |
| 8 |
Rotational cross sections and rate coefficients of aluminium monoxide AlO( X-2 Sigma(+)) induced by its collision with He(S-1) at low temperature
Tchakoua T, Nkot PRN, Fifen JJ, Nsangou M, Motapon O
Chemical Physics Letters, 701, 15, 2018 |
| 9 |
Decomposition of acetic acid over Ru and Ru/MgO catalyst clusters under DFT framework
Verma AM, Kishore N
Chemical Physics Letters, 711, 156, 2018 |
| 10 |
A new accurate potential energy surface for HeTiO system and rotational quenching of TiO due to He collisions
Zhou BY, He D, Chen MD
Chemical Physics Letters, 706, 323, 2018 |
