Author of the publication

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)

Please choose a person to relate this publication to

To differ between persons with the same name, the academic degree and the title of an important publication will be displayed. You can also use the button next to the name to display some publications already assigned to the person.

 

Other publications of authors with the same name

Techniques for geometry optimization: A comparison of cartesian and natural internal coordinates.. J. Comput. Chem., 14 (9): 1085-1100 (1993)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)Isomerization of stilbene using enforced geometry optimization., and . J. Comput. Chem., 32 (1): 43-53 (2011)Constrained optimization in cartesian coordinates., and . J. Comput. Chem., 14 (11): 1339-1346 (1993)Parallel stored-integral and semidirect Hartree-Fock and DFT methods with data compression., , , and . J. Comput. Chem., 24 (2): 154-160 (2003)Parallel DFT gradients using the Fourier Transform Coulomb method., , and . J. Comput. Chem., 28 (16): 2581-2588 (2007)Sensing Movement on Smartphone Devices to Assess User Interaction for Face Verification., , , , and . ICCST, page 1-5. IEEE, (2018)The location of transition states: A comparison of Cartesian, Z-matrix, and natural internal coordinates., and . J. Comput. Chem., 17 (7): 888-904 (1996)An efficient parallel algorithm for the calculation of canonical MP2 energies., and . J. Comput. Chem., 23 (12): 1150-1156 (2002)Molecular energies and properties from density functional theory: Exploring basis set dependence of Kohn - Sham equation using several density functionals., , and . J. Comput. Chem., 18 (6): 775-795 (1997)