Items where Author is "Das, Akshaya Kumar"
Number of items: 5. ArticleBrickel, Sebastian and Das, Akshaya Kumar and Unke, Oliver Thorsten and Turan, Haydar Taylan and Meuwly, Markus. (2019) Reactive molecular dynamics for the [Cl–CH3–Br]− reaction in the gas phase and in solution: a comparative study using empirical and neural network force fields. Electronic Structure, 1 (2). 024002. Das, Akshaya Kumar and Meuwly, Markus. (2018) Kinetic Analysis and Structural Interpretation of Competitive Ligand Binding for NO Dioxygenation in Truncated HemoglobinN. Angewandte Chemie International Edition, 57 (13). pp. 3509-3513. Schmid, Maurus H. and Das, Akshaya Kumar and Landis, Clark R. and Meuwly, Markus. (2018) Multi-State VALBOND for Atomistic Simulations of Hypervalent Molecules, Metal Complexes, and Reactions. Journal of Chemical Theory and Computation, 14 (7). pp. 3565-3578. Jin, Haiyun and Goyal, Puja and Das, Akshaya Kumar and Gaus, Michael and Meuwly, Markus and Cui, Qiang. (2015) Copper Oxidation/Reduction in Water and Protein: Studies with DFTB3/MM and VALBOND Molecular Dynamics Simulations. Journal of Physical Chemistry B, 120 (8). pp. 1894-1910. ThesisDas, Akshaya Kumar. Molecular interpretation of the structure, dynamics and reactivity of metal complexes and enzymes. 2018, Doctoral Thesis, University of Basel, Faculty of Science. |
