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Disambiguation of "Pulay, Peter"

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Comments on the molecular geometry of ferrocene: The dangers of using quantum chemistry programs as black boxes.

, , and . J. Comput. Chem., 30 (6): 881-883 (2009)

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Peter Pulay

Tanja Elisabeth Peters

George Gershwins und Jerome Kerns Musicalsongs: ihre Ähnlichkeit, Wahrnehmung und musikalische Struktur. Uni Köln, (2008)

Andre Peters

Description and determination of soil hydraulic properties on the laboratory scale. TU Braunschweig, (2008)

Jillian Petersen

Diversity and ecology of chemosynthetic symbioses in deep-sea invertebrates. Uni Bremen, (2009)

Robert Martin Peterreins

Musikhörfähigkeit von Patienten mit elektroakustischer Stimulation: Testung anhand des Mu.S.I.C.-Tests. TU München, (2009)
 

Other publications of authors with the same name

Efficient geometry optimization of molecular clusters., and . J. Comput. Chem., 21 (1): 69-76 (2000)Integral transformation with low-order scaling for large local second-order Møller-Plesset calculations., , and . J. Comput. Chem., 19 (11): 1241-1254 (1998)Comments on the molecular geometry of ferrocene: The dangers of using quantum chemistry programs as black boxes., , and . J. Comput. Chem., 30 (6): 881-883 (2009)Analytical derivatives, forces, force constants, molecular geometries, and related response properties in electronic structure theory. Wiley Interdisciplinary Reviews: Computational Molecular Science, 4 (3): 169--181 (May 2014)Parallel DFT gradients using the Fourier Transform Coulomb method., , and . J. Comput. Chem., 28 (16): 2581-2588 (2007)Parallel stored-integral and semidirect Hartree-Fock and DFT methods with data compression., , , and . J. Comput. Chem., 24 (2): 154-160 (2003)Ab initio geometry optimization for large molecules., , and . J. Comput. Chem., 18 (12): 1473-1483 (1997)Methods for parallel computation of SCF NMR chemical shifts by GIAO method: Efficient integral calculation, multi-Fock algorithm, and pseudodiagonalization., , , and . J. Comput. Chem., 18 (6): 816-825 (1997)Predicting the vibrational spectra of some simple fluorocarbons by direct scaling of primitive valence force constants., and . J. Comput. Chem., 19 (10): 1187-1204 (1998)Array files for computational chemistry: MP2 energies., , and . J. Comput. Chem., 28 (7): 1215-1220 (2007)