| 1 |
Quantum mechanics based mechanisms for selective activation of hydrocarbons by mixed metal oxide heterogeneous catalysts - A tribute to Robert Grasselli
Goddard WA
Catalysis Today, 363, 3, 2021 |
| 2 |
The application of molecular simulation in ash chemistry of coal
Dai X, Bai J, Yuan P, Du SY, Li DT, Wen XD, Li W
Chinese Journal of Chemical Engineering, 28(11), 2723, 2020 |
| 3 |
Structural Characterization of Linear Quantum Systems With Application to Back-Action Evading Measurement
Zhang GF, Petersen IR, Li JH
IEEE Transactions on Automatic Control, 65(7), 3157, 2020 |
| 4 |
A combined electrochemical, molecular dynamics, quantum mechanics and XPS analysis of the mild steel surface protected by a complex film composed of neodymium (III) and benzimidazole
Ralkhal S, Shahrabi T, Ramezanzadeh B, Bahlakeh G
Applied Surface Science, 464, 178, 2019 |
| 5 |
Quantum trajectory study of laser-driven atomic ionization
Cruz-Rodriguez L, Uranga-Pina L, Martinez-Mesa A, Meier C
Chemical Physics Letters, 715, 211, 2019 |
| 6 |
Catalysis mechanism of oxidized polyvinyl alcohol by pseudomonas hydrolase: Insights from molecular dynamics and QM/MM analysis
Chen JF, Wang JJ, Li YW, Wang XD, Zhuang T, Zhang QZ, Wang WX
Chemical Physics Letters, 721, 49, 2019 |
| 7 |
Interfacial adhesion and corrosion protection properties improvement of a polyester-melamine coating by deposition of a novel green praseodymium oxide nanofilm: A comprehensive experimental and computational study
Ramezanzadeh M, Bahlakeh G, Sanaei Z, Ramezanzadeh B
Journal of Industrial and Engineering Chemistry, 74, 26, 2019 |
| 8 |
Large scale Full QM-MD investigation of small peptides and insulin adsorption on ideal and defective TiO2 (100) surfaces. Influence of peptide size on interfacial bonds
Dubot P, Boisseau N, Cenedese P
Applied Surface Science, 440, 614, 2018 |
| 9 |
A combined experimental and electronic-structure quantum mechanics approach for studying the kinetics and adsorption characteristics of zinc nitrate hexahydrate corrosion inhibitor on the graphene oxide nanosheets
Kasaeian M, Ghasemi E, Ramezanzadeh B, Mahdavian M, Bahlakeh G
Applied Surface Science, 462, 963, 2018 |
| 10 |
Fabrication of an efficient system for Zn ions removal from industrial wastewater based on graphene oxide nanosheets decorated with highly crystalline polyaniline nanofibers (GO-PANI): Experimental and ab initio quantum mechanics approaches
Ramezanzadeh M, Asghari M, Ramezanzadeh B, Bahlakeh G
Chemical Engineering Journal, 337, 385, 2018 |
