Raymond A. Poirier

According to our database1, Raymond A. Poirier authored at least 8 papers between 1996 and 2014.

Collaborative distances:
  • Dijkstra number2 of six.
  • Erdős number3 of five.

Timeline

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Links

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Bibliography

2014
High level ab initio, DFT, and RRKM calculations for the unimolecular decomposition reaction of ethylamine.
J. Comput. Sci., 2014

2011
Theoretical study on the unimolecular decomposition of thiophenol.
J. Comput. Chem., 2011

2009
An Evaluation of Parallel Numerical Hessian Calculations.
Proceedings of the High Performance Computing Systems and Applications, 2009

2008
Mechanisms for the Deamination Reaction of Cytosine with H<sub>2</sub>O/OH<sup>-</sup> and 2H<sub>2</sub>O/OH<sup>-</sup>: A Computational Study.
J. Chem. Inf. Model., 2008

2006
Fortran 90 Code For Molecular Numerical Integration.
Proceedings of the 20th Annual International Symposium on High Performance Computing Systems and Applications (HPCS 2006), 2006

2004
An evaluation of the radial part of numerical integration commonly used in DFT.
J. Comput. Chem., 2004

1998
Graphical approach for defining natural internal coordinates.
J. Comput. Chem., 1998

1996
Computational developments in generalized valence bond calculations.
J. Comput. Chem., 1996


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