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Jacek Jakowski

Showing results (1-10 of 32) with videos related to

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The Journal of Chemical Physics|June 18, 2009
Liouville-von Neumann molecular dynamicsJacek Jakowski, Keiji Morokuma
Journal of the American Chemical Society|December 18, 2003
Theoretical analysis of the electronic structure and bonding stability of the TCNE dimer dianion (TCNE) 2 2-Jacek Jakowski, Jack Simons
The Journal of Chemical Physics|April 20, 2005
Quantum wave packet ab initio molecular dynamics: an approach to study quantum dynamics in large systemsSrinivasan S Iyengar, Jacek Jakowski
Physical Chemistry Chemical Physics : PCCP|December 8, 2011
Time-dependent quantum dynamical simulations of C2 condensation under extreme conditionsJacek Jakowski, Stephan Irle, Keiji Morokuma
The Journal of Physical Chemistry. B|June 6, 2008
Hydrogen tunneling in an enzyme active site: a quantum wavepacket dynamical perspectiveSrinivasan S Iyengar, Isaiah Sumner, Jacek Jakowski
Chemical Communications (Cambridge, England)|March 30, 2026
Quantum effects on the dynamics and properties of soft materialsSophya Garashchuk, Jacek Jakowski, Vitaly A Rassolov
Journal of Chemical Theory and Computation|December 3, 2015
Computational Improvements to Quantum Wave Packet ab Initio Molecular Dynamics Using a Potential-Adapted, Time-Dependent Deterministic Sampling TechniqueJacek Jakowski, Isaiah Sumner, Srinivasan S Iyengar
Journal of Chemical Theory and Computation|November 24, 2015
Quantum Trajectory-Electronic Structure Approach for Exploring Nuclear Effects in the Dynamics of NanomaterialsSophya Garashchuk, Jacek Jakowski, Lei Wang, et al.
The Journal of Physical Chemistry Letters|August 20, 2015
Modeling Charge Transfer in Fullerene Collisions via Real-Time Electron DynamicsJacek Jakowski, Stephan Irle, Bobby G Sumpter, et al.
Computational and Structural Biotechnology Journal|September 7, 2023
Computational approaches to delivery of anticancer drugs with multidimensional nanomaterialsShubhangi Shukla, Jacek Jakowski, Sachin Kadian, et al.
Pageof 4

Showing results (1-10 of 32) with videos related to

Sort By:
Pageof 4
The Journal of Chemical Physics|June 18, 2009
Liouville-von Neumann molecular dynamicsJacek Jakowski, Keiji Morokuma
Journal of the American Chemical Society|December 18, 2003
Theoretical analysis of the electronic structure and bonding stability of the TCNE dimer dianion (TCNE) 2 2-Jacek Jakowski, Jack Simons
The Journal of Chemical Physics|April 20, 2005
Quantum wave packet ab initio molecular dynamics: an approach to study quantum dynamics in large systemsSrinivasan S Iyengar, Jacek Jakowski
Physical Chemistry Chemical Physics : PCCP|December 8, 2011
Time-dependent quantum dynamical simulations of C2 condensation under extreme conditionsJacek Jakowski, Stephan Irle, Keiji Morokuma
The Journal of Physical Chemistry. B|June 6, 2008
Hydrogen tunneling in an enzyme active site: a quantum wavepacket dynamical perspectiveSrinivasan S Iyengar, Isaiah Sumner, Jacek Jakowski
Chemical Communications (Cambridge, England)|March 30, 2026
Quantum effects on the dynamics and properties of soft materialsSophya Garashchuk, Jacek Jakowski, Vitaly A Rassolov
Journal of Chemical Theory and Computation|December 3, 2015
Computational Improvements to Quantum Wave Packet ab Initio Molecular Dynamics Using a Potential-Adapted, Time-Dependent Deterministic Sampling TechniqueJacek Jakowski, Isaiah Sumner, Srinivasan S Iyengar
Journal of Chemical Theory and Computation|November 24, 2015
Quantum Trajectory-Electronic Structure Approach for Exploring Nuclear Effects in the Dynamics of NanomaterialsSophya Garashchuk, Jacek Jakowski, Lei Wang, et al.
The Journal of Physical Chemistry Letters|August 20, 2015
Modeling Charge Transfer in Fullerene Collisions via Real-Time Electron DynamicsJacek Jakowski, Stephan Irle, Bobby G Sumpter, et al.
Computational and Structural Biotechnology Journal|September 7, 2023
Computational approaches to delivery of anticancer drugs with multidimensional nanomaterialsShubhangi Shukla, Jacek Jakowski, Sachin Kadian, et al.
Pageof 4