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Stephan Irle

Showing results (1-10 of 162) with videos related to

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RSC Advances|October 24, 2022
Quantum chemical investigation of the effect of alkali metal ions on the dynamic structure of water in aqueous solutionsRabi Khanal, Stephan Irle
The Journal of Chemical Physics|May 15, 2023
Effect of surface functional groups on MXene conductivityRabi Khanal, Stephan Irle
Physical Chemistry Chemical Physics : PCCP|December 8, 2011
Time-dependent quantum dynamical simulations of C2 condensation under extreme conditionsJacek Jakowski, Stephan Irle, Keiji Morokuma
Angewandte Chemie (International Ed. in English)|February 3, 2018
Keiji Morokuma (1934-2017)Qiang Cui, Stephan Irle, Jamal Musaev
The Journal of Chemical Physics|January 11, 2005
Towards formation of buckminsterfullerene C60 in quantum chemical molecular dynamicsGuishan Zheng, Stephan Irle, Keiji Morokuma
Journal of Chemical Theory and Computation|November 21, 2015
Self-Consistent Optimization of Excited States within Density-Functional Tight-BindingTim Kowalczyk, Khoa Le, Stephan Irle
Journal of Nanoscience and Nanotechnology|June 24, 2006
Fe/C interactions during SWNT growth with C2 feedstock molecules: A quantum chemical molecular dynamics studyGuishan Zheng, Stephan Irle, Keiji Morokuma
The Journal of Physical Chemistry. B|May 3, 2016
Understanding of the Off-On Response Mechanism in Caged Fluorophores Based on Quantum and Statistical MechanicsKosuke Usui, Stephan Irle, Daisuke Yokogawa
Physical Chemistry Chemical Physics : PCCP|March 20, 2019
Structural transformations of graphene exposed to nitrogen plasma: quantum chemical molecular dynamics simulationsSeokjin Moon, Yuh Hijikata, Stephan Irle
Physical Review Letters|November 24, 2011
Determination of local chirality in irregular single-walled carbon nanotubes based on individual hexagonsJoonghan Kim, Stephan Irle, Keiji Morokuma
Pageof 17

Showing results (1-10 of 162) with videos related to

Sort By:
Pageof 17
RSC Advances|October 24, 2022
Quantum chemical investigation of the effect of alkali metal ions on the dynamic structure of water in aqueous solutionsRabi Khanal, Stephan Irle
The Journal of Chemical Physics|May 15, 2023
Effect of surface functional groups on MXene conductivityRabi Khanal, Stephan Irle
Physical Chemistry Chemical Physics : PCCP|December 8, 2011
Time-dependent quantum dynamical simulations of C2 condensation under extreme conditionsJacek Jakowski, Stephan Irle, Keiji Morokuma
Angewandte Chemie (International Ed. in English)|February 3, 2018
Keiji Morokuma (1934-2017)Qiang Cui, Stephan Irle, Jamal Musaev
The Journal of Chemical Physics|January 11, 2005
Towards formation of buckminsterfullerene C60 in quantum chemical molecular dynamicsGuishan Zheng, Stephan Irle, Keiji Morokuma
Journal of Chemical Theory and Computation|November 21, 2015
Self-Consistent Optimization of Excited States within Density-Functional Tight-BindingTim Kowalczyk, Khoa Le, Stephan Irle
Journal of Nanoscience and Nanotechnology|June 24, 2006
Fe/C interactions during SWNT growth with C2 feedstock molecules: A quantum chemical molecular dynamics studyGuishan Zheng, Stephan Irle, Keiji Morokuma
The Journal of Physical Chemistry. B|May 3, 2016
Understanding of the Off-On Response Mechanism in Caged Fluorophores Based on Quantum and Statistical MechanicsKosuke Usui, Stephan Irle, Daisuke Yokogawa
Physical Chemistry Chemical Physics : PCCP|March 20, 2019
Structural transformations of graphene exposed to nitrogen plasma: quantum chemical molecular dynamics simulationsSeokjin Moon, Yuh Hijikata, Stephan Irle
Physical Review Letters|November 24, 2011
Determination of local chirality in irregular single-walled carbon nanotubes based on individual hexagonsJoonghan Kim, Stephan Irle, Keiji Morokuma
Pageof 17