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Publications of Author

1. Jon Baker
   Constrained optimization in delocalized internal coordinates. [Citation Graph (0, 0)][DBLP]
   Journal of Computational Chemistry, 1997, v:18, n:8, pp:1079-1095 [Journal]
   
2. Jon Baker, Fora Chan
   The location of transition states: A comparison of Cartesian, Z-matrix, and natural internal coordinates. [Citation Graph (0, 0)][DBLP]
   Journal of Computational Chemistry, 1996, v:17, n:7, pp:888-904 [Journal]
   
3. Jon Baker, Peter Pulay
   Efficient geometry optimization of molecular clusters. [Citation Graph (0, 0)][DBLP]
   Journal of Computational Chemistry, 2000, v:21, n:1, pp:69-76 [Journal]
   
4. Jon Baker, Peter Pulay
   An efficient parallel algorithm for the calculation of canonical MP2 energies. [Citation Graph (0, 0)][DBLP]
   Journal of Computational Chemistry, 2002, v:23, n:12, pp:1150-1156 [Journal]
   
5. Jon Baker, Peter Pulay
   Assessment of the OLYP and O3LYP density functionals for first-row transition metals. [Citation Graph (0, 0)][DBLP]
   Journal of Computational Chemistry, 2003, v:24, n:10, pp:1184-1191 [Journal]
   
6. Jon Baker, Peter Pulay
   Predicting the vibrational spectra of some simple fluorocarbons by direct scaling of primitive valence force constants. [Citation Graph (0, 0)][DBLP]
   Journal of Computational Chemistry, 1998, v:19, n:10, pp:1187-1204 [Journal]
   
7. Jing Kong, Christopher A. White, Anna I. Krylov, David Sherrill, Ross D. Adamson, Thomas R. Furlani, Michael S. Lee, Aaron M. Lee, Steven R. Gwaltney, Terry R. Adams, Christian Ochsenfeld, Andrew T. B. Gilbert, Gary S. Kedziora, Vitaly A. Rassolov, David R. Maurice, Nikhil Nair, Yihan Shao, Nicholas A. Besley, Paul E. Maslen, Jeremy P. Dombroski, Holger Daschel, Weimin Zhang, Prakashan P. Korambath, Jon Baker, Edward F. C. Byrd, Troy A. Van Voorhis, Manabu Oumi, So Hirata, Chao-Ping Hsu, Naoto Ishikawa, Jan Florián, Arieh Warshel, Benny G. Johnson, Peter M. W. Gill, Martin Head-Gordon, John A. Pople
   Q-Chem 2.0: a high-performance ab initio electronic structure program package. [Citation Graph (0, 0)][DBLP]
   Journal of Computational Chemistry, 2000, v:21, n:16, pp:1532-1548 [Journal]
   
8. Alexander V. Mitin, Jon Baker, Krzysztof Wolinski, Peter Pulay
   Parallel stored-integral and semidirect Hartree-Fock and DFT methods with data compression. [Citation Graph (0, 0)][DBLP]
   Journal of Computational Chemistry, 2003, v:24, n:2, pp:154-160 [Journal]
   
9. Peter Pulay, Svein Saebo, Massimo Malagoli, Jon Baker
   Accuracy and efficiency of atomic basis set methods versus plane wave calculations with ultrasoft pseudopotentials for DNA base molecules. [Citation Graph (0, 0)][DBLP]
   Journal of Computational Chemistry, 2005, v:26, n:6, pp:599-605 [Journal]
   
10. Andrew C. Scheiner, Jon Baker, Jan W. Andzelm
    Molecular energies and properties from density functional theory: Exploring basis set dependence of Kohn - Sham equation using several density functionals. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 1997, v:18, n:6, pp:775-795 [Journal]
    
11. Jon Baker, Matt Shirel
    Ab initio quantum chemistry on PC-based parallel supercomputers. [Citation Graph (0, 0)][DBLP]
    Parallel Computing, 2000, v:26, n:7-8, pp:1011-1024 [Journal]