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Faraday Discussions
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October 24, 2014
Studying chemical reactivity in a virtual environment
Moritz P Haag, Markus Reiher
Chimia
|
January 26, 2012
47th symposium on theoretical chemistry 2011 (STC 2011) designing molecular functionality: challenges for theoretical approaches
Moritz P Haag, Arndt R Finkelmann
Journal of Computational Chemistry
|
December 19, 2015
Real-time feedback from iterative electronic structure calculations
Alain C Vaucher, Moritz P Haag, Markus Reiher
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
October 14, 2011
Generation of potential energy surfaces in high dimensions and their haptic exploration
Moritz P Haag, Konrad H Marti, Markus Reiher
Journal of Chemical Theory and Computation
|
November 25, 2015
Analysis of the Cartesian Tensor Transfer Method for Calculating Vibrational Spectra of Polypeptides
Noah S Bieler, Moritz P Haag, Christoph R Jacob, et al.
Journal of Chemical Theory and Computation
|
March 9, 2018
Integrated Reaction Path Processing from Sampled Structure Sequences
Michael A Heuer, Alain C Vaucher, Moritz P Haag, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
September 11, 2014
Interactive chemical reactivity exploration
Moritz P Haag, Alain C Vaucher, Maël Bosson, et al.
Journal of Computational Chemistry
|
June 22, 2012
M(O)V(I)P(AC): vibrational spectroscopy with a robust meta-program for massively parallel standard and inverse calculations
Thomas Weymuth, Moritz P Haag, Karin Kiewisch, et al.
Page
of 1
Search research articles
Search
Showing results (1-10 of 8) with videos related to
Sort By:
Page
of 1
Faraday Discussions
|
October 24, 2014
Studying chemical reactivity in a virtual environment
Moritz P Haag, Markus Reiher
Chimia
|
January 26, 2012
47th symposium on theoretical chemistry 2011 (STC 2011) designing molecular functionality: challenges for theoretical approaches
Moritz P Haag, Arndt R Finkelmann
Journal of Computational Chemistry
|
December 19, 2015
Real-time feedback from iterative electronic structure calculations
Alain C Vaucher, Moritz P Haag, Markus Reiher
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
October 14, 2011
Generation of potential energy surfaces in high dimensions and their haptic exploration
Moritz P Haag, Konrad H Marti, Markus Reiher
Journal of Chemical Theory and Computation
|
November 25, 2015
Analysis of the Cartesian Tensor Transfer Method for Calculating Vibrational Spectra of Polypeptides
Noah S Bieler, Moritz P Haag, Christoph R Jacob, et al.
Journal of Chemical Theory and Computation
|
March 9, 2018
Integrated Reaction Path Processing from Sampled Structure Sequences
Michael A Heuer, Alain C Vaucher, Moritz P Haag, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
September 11, 2014
Interactive chemical reactivity exploration
Moritz P Haag, Alain C Vaucher, Maël Bosson, et al.
Journal of Computational Chemistry
|
June 22, 2012
M(O)V(I)P(AC): vibrational spectroscopy with a robust meta-program for massively parallel standard and inverse calculations
Thomas Weymuth, Moritz P Haag, Karin Kiewisch, et al.
Page
of 1