| 1. | U. Rivero; H. T. Turan; M. Meuwly; S. Willitsch Reactive Atomistic Simulations of Diels-Alder-Type Reactions: Conformational and Dynamic Effects in the Polar Cycloaddition of 2,3-Dibromobutadiene Radical Ions with Maleic Anhydride Journal Article In: Mol. Phys., vol. 119, pp. e182852, 2020. @article{MM.rivero.mp:2020,
title = {Reactive Atomistic Simulations of Diels-Alder-Type Reactions: Conformational and Dynamic Effects in the Polar Cycloaddition of 2,3-Dibromobutadiene Radical Ions with Maleic Anhydride},
author = {U. Rivero and H. T. Turan and M. Meuwly and S. Willitsch},
year = {2020},
date = {2020-10-30},
urldate = {2020-10-30},
journal = {Mol. Phys.},
volume = {119},
pages = {e182852},
keywords = {Atomistic Simulations, diels-alder},
pubstate = {published},
tppubtype = {article}
}
|
| 2. | U. Rivero; O. T. Unke; M. Meuwly; S. Willitsch
Reactive Atomistic Simulations of Diels-Alder Reactions: The Importance of Molecular Rotations Journal Article In: J. Chem. Phys., vol. 151, pp. 104301, 2019. @article{MM.rivero.jcp:2019,
title = {Reactive Atomistic Simulations of Diels-Alder Reactions: The Importance of Molecular Rotations},
author = {U. Rivero and O. T. Unke and M. Meuwly and S. Willitsch
},
year = {2019},
date = {2019-01-01},
journal = {J. Chem. Phys.},
volume = {151},
pages = {104301},
keywords = {diels-alder, Reactive Molecular Dynamics},
pubstate = {published},
tppubtype = {article}
}
|
| 3. | U. Rivero; M. Meuwly; S. Willitsch A Computational Study of the Diels-Alder Reactions between 2,3-Dibromo-1,3-Butadiene and Maleic Anhydride Journal Article In: Chem. Phys. Lett., vol. 683, pp. 598-605, 2017. @article{MM.rivero.cpl:2017,
title = {A Computational Study of the Diels-Alder Reactions between 2,3-Dibromo-1,3-Butadiene and Maleic Anhydride},
author = {U. Rivero and M. Meuwly and S. Willitsch},
year = {2017},
date = {2017-01-01},
journal = {Chem. Phys. Lett.},
volume = {683},
pages = {598-605},
keywords = {diels-alder, Reactive Molecular Dynamics},
pubstate = {published},
tppubtype = {article}
}
|
