| 1 |
Understanding how chemical structure affects ignition-delay-time phi-sensitivity
Messerly RA, Luecke JH, St John PC, Etz BD, Kim Y, Zigler BT, McCormick RL, Kim S
Combustion and Flame, 225, 377, 2021 |
| 2 |
Recent progress on Al distribution over zeolite frameworks:Linking theories and experiments
Kwak SJ, Kim HS, Park NJ, Park MJ, Lee WB
Korean Journal of Chemical Engineering, 38(6), 1117, 2021 |
| 3 |
Heat of Formation of Triazole-Based Salts: Prediction and Experimental Validation
Glorian J, Han KT, Braun S, Baschung B
Propellants Explosives Pyrotechnics, 46(1), 124, 2021 |
| 4 |
Decomposition Pathways of Ammonium Dinitramide (ADN) and its HNO3-Clusters Elucidated by DFT-Calculations
Lang J, Bohn MA
Propellants Explosives Pyrotechnics, 46(2), 233, 2021 |
| 5 |
Heat of Formation of Triazole-Based Salts: Prediction and Experimental Validation
Glorian J, Han KT, Braun S, Baschung B
Propellants Explosives Pyrotechnics, 46(1), 124, 2021 |
| 6 |
Decomposition Pathways of Ammonium Dinitramide (ADN) and its HNO3-Clusters Elucidated by DFT-Calculations
Lang J, Bohn MA
Propellants Explosives Pyrotechnics, 46(2), 233, 2021 |
| 7 |
Novel nonperipheral octa-3-hydroxypropylthio substituted metallo-phthalocyanines: synthesis, characterization, and investigation of their electrochemical, photochemical and computational properties
Kabay N, Baygu Y, Metin AK, Kara I, Kaya EN, Durmus M, GoK Y
Turkish Journal of Chemistry, 45(1), 143, 2021 |
| 8 |
Computational chemistry considerations in catalysis: Regioselectivity and metal-ligand dissociation
Patel P, Wilson AK
Catalysis Today, 358, 422, 2020 |
| 9 |
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 |
| 10 |
Adjusting dispersion parameters for the density-functional tight-binding description of molecular crystals
Dolgonos GA, Boese AD
Chemical Physics Letters, 718, 7, 2019 |
