| 1 |
Rx-COSMO-CAMPD: Enhancing Reactions by Integrated Computer-Aided Design of Solvents and Processes based on Quantum Chemistry
Gertig C, Fleitmann L, Schilling J, Leonhard K, Bardow A
Chemie Ingenieur Technik, 92(10), 1489, 2020 |
| 2 |
Computer-aided reaction solvent design based on transition state theory and COSMO-SAC
Liu QL, Zhang L, Liu LL, Du J, Meng QW, Gani R
Chemical Engineering Science, 202, 300, 2019 |
| 3 |
Integration of Fuzzy Analytic Hierarchy Process into multi-objective Computer Aided Molecular Design
Ooi J, Promentilla MAB, Tan RR, Ng DKS, Chemmangattuvalappil NG
Computers & Chemical Engineering, 109, 191, 2018 |
| 4 |
A machine learning based computer-aided molecular design/screening methodology for fragrance molecules
Zhang L, Mao HT, Liu LL, Du J, Gani R
Computers & Chemical Engineering, 115, 295, 2018 |
| 5 |
Optimal molecular design towards an environmental friendly solvent recovery process
Ooi J, Ng DKS, Chemmangattuvalappil NG
Computers & Chemical Engineering, 117, 391, 2018 |
| 6 |
Molecular property methods for assessing efficiency of organic Rankine cycles
Lukawski MZ, DiPippo R, Tester JW
Energy, 142, 108, 2018 |
| 7 |
Computer-aided working-fluid design, thermodynamic optimisation and thermoeconomic assessment of ORC systems for waste-heat recovery
White MT, Oyewunmi OA, Chatzopoulou MA, Pantaleo AM, Haslam AJ, Markides CN
Energy, 161, 1181, 2018 |
| 8 |
Development of CAMD Based on the Hybrid Gene Algorithm and Simulated Annealing Algorithm and the Application on Solvent Selection
Liu BT, Wen YT, Zhang XA
Canadian Journal of Chemical Engineering, 95(4), 767, 2017 |
| 9 |
A QM-CAMD approach to solvent design for optimal reaction rates
Struebing H, Obermeier S, Siougkrou E, Adjiman CS, Galindo A
Chemical Engineering Science, 159, 69, 2017 |
| 10 |
COSMO-CAMD: A framework for optimization-based computer-aided molecular design using COSMO-RS
Scheffczyk J, Fleitmann L, Schwarz A, Lampe M, Bardow A, Leonhard K
Chemical Engineering Science, 159, 84, 2017 |
