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Journal of Chemical Theory and Computation
|
November 27, 2015
A Multiscale Treatment of Angeli's Salt Decomposition
Juan Torras, Gustavo de M Seabra, Adrian E Roitberg
The Journal of Physical Chemistry. A
|
October 24, 2009
Are current semiempirical methods better than force fields? A study from the thermodynamics perspective
Gustavo de M Seabra, Ross C Walker, Adrian E Roitberg
Journal of Computational Chemistry
|
February 14, 2008
A versatile AMBER-Gaussian QM/MM interface through PUPIL
Juan Torras, Gustavo de M Seabra, Erik Deumens, et al.
The Journal of Physical Chemistry. A
|
May 25, 2007
Implementation of the SCC-DFTB method for hybrid QM/MM simulations within the amber molecular dynamics package
Gustavo de M Seabra, Ross C Walker, Marcus Elstner, et al.
Page
of 1
Search research articles
Search
Showing results (1-10 of 4) with videos related to
Sort By:
Page
of 1
Journal of Chemical Theory and Computation
|
November 27, 2015
A Multiscale Treatment of Angeli's Salt Decomposition
Juan Torras, Gustavo de M Seabra, Adrian E Roitberg
The Journal of Physical Chemistry. A
|
October 24, 2009
Are current semiempirical methods better than force fields? A study from the thermodynamics perspective
Gustavo de M Seabra, Ross C Walker, Adrian E Roitberg
Journal of Computational Chemistry
|
February 14, 2008
A versatile AMBER-Gaussian QM/MM interface through PUPIL
Juan Torras, Gustavo de M Seabra, Erik Deumens, et al.
The Journal of Physical Chemistry. A
|
May 25, 2007
Implementation of the SCC-DFTB method for hybrid QM/MM simulations within the amber molecular dynamics package
Gustavo de M Seabra, Ross C Walker, Marcus Elstner, et al.
Page
of 1