15 results on '"S. Hofer"'
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2. Unveiling the Future of Postoperative Outcomes Prediction: The Role of Machine Learning and Trust in Healthcare.
3. Probing the range of applicability of structure- and energy-adjusted QM/MM link bonds II: Optimized link bond parameters for density functional tight binding approaches.
4. Cu2+ in liquid ammonia - The impact of solvent flexibility and electron correlation in ab initio quantum mechanical charge field molecular dynamics.
5. Probing vibrational coupling via a grid-based quantum approach - an efficient strategy for accurate calculations of localized normal modes in solid-state systems.
6. Conserving the linear momentum in stochastic dynamics: Dissipative particle dynamics as a general strategy to achieve local thermostatization in molecular dynamics simulations.
7. Probing the range of applicability of structure- and energy-adjusted QM/MM link bonds.
8. Structure and dynamics of methanol in water: A quantum mechanical charge field molecular dynamics study.
9. Hydrated germanium (II): Irregular structural and dynamical properties revealed by a quantum mechanical charge field molecular dynamics study.
10. Structure and dynamics of phosphate ion in aqueous solution: An ab initio QMCF MD study.
11. Quantum mechanical/molecular mechanical simulations of the Tl(III) ion in water.
12. Quantum mechanical charge field molecular dynamics simulation of the TiO2+ ion in aqueous solution.
13. Tl(I)-the strongest structure-breaking metal ion in water? A quantum mechanical/molecular mechanical simulation study.
14. Structure-breaking effects of solvated Rb(I) in dilute aqueous solution - An ab initio QM/MM MD approach.
15. Characterization of dynamics and reactivities of solvated ions by ab initio simulations.
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