화학공학소재연구정보센터
검색결과 : 3건
No. Article
1 Can One Trust Kinetic and Thermodynamic Observables from Biased Metadynamics Simulations?: Detailed Quantitative Benchmarks on Millimolar Drug Fragment Dissociation
Pramanik D, Smith Z, Kells A, Tiwary P
Journal of Physical Chemistry B, 123(17), 3672, 2019
2 Calculating Kinetic Rates and Membrane Permeability from Biased Simulations
Badaoui M, Kells A, Molteni C, Dickson CJ, Hornak V, Rosta E
Journal of Physical Chemistry B, 122(49), 11571, 2018
3 Fuel cell hybrid taxi life cycle analysis
Baptista P, Ribau J, Bravo J, Silva C, Adcock P, Kells A
Energy Policy, 39(9), 4683, 2011