| Publications | Product(s) Referenced | Publication Year | |
|---|---|---|---|
| "DFT Study of 1-butyl-3-methylimidazolium Salicylate: A Third-Generation Ionic Liquid" Armaković, S.; Armaković, S.J.; Vraneš, M.; Tot, A.; Gadžurić, S., Journal of Molecular Modeling, 2015, 21, 246 | MS Jaguar | 2015 | |
| "Optoelectronic and Charge Carrier Hopping Properties of Ultra-Thin Boron Nitride Nanotubes" Armaković, S.; Armaković, S.J.; Pelemiš, S.S.; Šetrajčić, J.P., Superlattices and Microstructures, 2015, 79, 79 | MS Jaguar | 2015 | |
| "Graphene Quantum Sheet Catalyzed Silicon Photocathode for Selective CO2 Conversion to CO" Yang, K.D.; Ha, Y.; Sim, U.; An, J.; Lee, C.W.; Jin, K.; Kim, Y.; Park, J.; Hong, J.S.; Lee, J.H.; Lee, H.E.; Jeong, H.Y.; Kim, H.; Nam, K.T., Advanced Functional Materials, 2015, 26, 233 | MS Jaguar | 2015 | |
| "Reaction Mechanism from Quantum Molecular Dynamics for the Initial Thermal Decomposition of 2,4,6-triamino-1,3,5-triazine-1,3,5-trioxide (MTO) and 2,4,6-trinitro-1,3,5-triazine- 1,3,5-trioxide (MTO3N), Promising Green Energetic Materials" Ye, C.-C.; An, Q.; Cheng, T.; Zybin, S.; Naserifar, S.; Ju, X.-H.; Goddard, W.A., Journal of Materials Chemistry A, 2015, 3, 12044 | MS Jaguar | 2015 | |
| "Tuning selectivity of electrochemical reactions by atomically dispersed platinum catalyst" Choi, C.H.; Kim, M.; Kwon, H.C.; Cho, S.J.; Yun, S.; Kim, H.-T.; Mayrhofer K.J.J.; Kim, H.; Choi, M., Nature Communications, 2015, 7, 10922 | MS Jaguar | 2015 | |
| "Initial Decomposition Reactions of Bicyclo-HMX [BCHMX or cis-1,3,4,6-Tetranitrooctahydroimidazo -[4,5-d]imidazole] from Quantum Molecular Dynamics Simulations" Ye, C.-C., An, Q., Goddard, W.A.; Cheng, T.; Zybin, S.; Ju, X.-H.;, Journal of Physical Chemistry C, 2015, 119(5), 2290 | Desmond | 2015 | |
| "Molecular Dynamics Simulation Study of Sodium Dodecyl Sulfate Micelle: Water Penetration and Sodium Dodecyl Sulfate Dissociation" Chun, B.J.; Choi, J.I.; Jang, S.S., Colloids and Surfaces A: Physicochemical and Engineering Aspects, 2015, 474, 36 | Desmond | 2015 | |
| "Initial decomposition reaction of di-tetrazinetetroxide (DTTO) from quantum molecular dynamics: implications for a promising energetic material" Ye, C.-C.; An, Q.; Goddard, W.A.; Cheng, T.; Liu, W.-G.; Zybin, S.V.; Ju, X.-H.;, Journal of Materials Chemistry A, 2015, 3, 1972 | MS Jaguar | 2015 | |
| "Rhodium Bis(quinolinyl)benzene Complexes for Methane Activation and Functionalization" Fu, R.; O'Reilly, M.E.; Nielsen, R.J.; Goddard, W.A.; Gunnoe, T.B., Chemistry-a European Journal , 2015, 21, 1286 | MS Jaguar | 2015 | |
| "The Reaction Mechanism with Free Energy Barriers for Electrochemical Dihydrogen Evolution on MoS2" Huang, Y.F.; Nielsen, R.J.; Goddard, W.A.; Soriaga, M.P.;, Journal of the American Chemical Society, 2015, 137, 6692 | MS Jaguar | 2015 |
ö indicates papers (co)authored by Schrödinger scientist(s).