화학공학소재연구정보센터
검색결과 : 52건
No. Article
1 Metastability and no criticality Reply
Palmer JC, Martelli F, Liu Y, Car R, Panagiotopoulos AZ, Debenedetti PG
Nature, 531(7593), E2, 2016
2 Metastable liquid-liquid transition in a molecular model of water
Palmer JC, Martelli F, Liu Y, Car R, Panagiotopoulos AZ, Debenedetti PG
Nature, 510(7505), 385, 2014
3 Enhanced Thermal Decomposition of Nitromethane on Functionalized Graphene Sheets: Ab Initio Molecular Dynamics Simulations
Liu LM, Car R, Selloni A, Dabbs DM, Aksay IA, Yetter RA
Journal of the American Chemical Society, 134(46), 19011, 2012
4 Electrocatalyst design from first principles: A hydrogen-production catalyst inspired by nature
Zipoli F, Car R, Cohen MH, Selloni A
Catalysis Today, 165(1), 160, 2011
5 Simple, Unambiguous Theoretical Approach to Oxidation State Determination via First-Principles Calculations
Sit PHL, Car R, Cohen MH, Selloni A
Inorganic Chemistry, 50(20), 10259, 2011
6 Simulation of Electrocatalytic Hydrogen Production by a Bioinspired Catalyst Anchored to a Pyrite Electrode
Zipoli F, Car R, Cohen MH, Selloni A
Journal of the American Chemical Society, 132(25), 8593, 2010
7 A model approach to modelling
Car R, Parrinello M
Nature Materials, 9(9), 687, 2010
8 From ab initio onwards
Pulizzi F, Car R
Nature Materials, 9(9), 694, 2010
9 Charge Transfer in Partition Theory
Cohen MH, Wasserman A, Car R, Burke K
Journal of Physical Chemistry A, 113(10), 2183, 2009
10 Hydrogen Production by the Naked Active Site of the Di-iron Hydrogenases in Water
Zipoli F, Car R, Cohen MH, Selloni A
Journal of Physical Chemistry B, 113(39), 13096, 2009