Jon Baker

2009
14	EE	Jon Baker, Krzysztof Wolinski, Massimo Malagoli, Don Kinghorn, Pawel Wolinski, Gábor Magyarfalvi, Svein Saebo, Tomasz Janowski, Peter Pulay: Quantum chemistry in parallel with PQS. Journal of Computational Chemistry 30(2): 317-335 (2009)
13	EE	Jason Martin, Jon Baker, Peter Pulay: Comments on the molecular geometry of ferrocene: The dangers of using quantum chemistry programs as black boxes. Journal of Computational Chemistry 30(6): 881-883 (2009)
2007
12	EE	Jon Baker, Krzysztof Wolinski, Peter Pulay: Parallel DFT gradients using the Fourier Transform Coulomb method. Journal of Computational Chemistry 28(16): 2581-2588 (2007)
2005
11	EE	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. Journal of Computational Chemistry 26(6): 599-605 (2005)
2003
10	EE	Jon Baker, Peter Pulay: Assessment of the OLYP and O3LYP density functionals for first-row transition metals. Journal of Computational Chemistry 24(10): 1184-1191 (2003)
9	EE	Alexander V. Mitin, Jon Baker, Krzysztof Wolinski, Peter Pulay: Parallel stored-integral and semidirect Hartree-Fock and DFT methods with data compression. Journal of Computational Chemistry 24(2): 154-160 (2003)
2002
8	EE	Jon Baker, Peter Pulay: An efficient parallel algorithm for the calculation of canonical MP2 energies. Journal of Computational Chemistry 23(12): 1150-1156 (2002)
2000
7	EE	Jon Baker, Peter Pulay: Efficient geometry optimization of molecular clusters. Journal of Computational Chemistry 21(1): 69-76 (2000)
6	EE	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. Journal of Computational Chemistry 21(16): 1532-1548 (2000)
5		Jon Baker, Matt Shirel: Ab initio quantum chemistry on PC-based parallel supercomputers. Parallel Computing 26(7-8): 1011-1024 (2000)
1998
4	EE	Jon Baker, Peter Pulay: Predicting the vibrational spectra of some simple fluorocarbons by direct scaling of primitive valence force constants. Journal of Computational Chemistry 19(10): 1187-1204 (1998)
1997
3	EE	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. Journal of Computational Chemistry 18(6): 775-795 (1997)
2	EE	Jon Baker: Constrained optimization in delocalized internal coordinates. Journal of Computational Chemistry 18(8): 1079-1095 (1997)
1996
1	EE	Jon Baker, Fora Chan: The location of transition states: A comparison of Cartesian, Z-matrix, and natural internal coordinates. Journal of Computational Chemistry 17(7): 888-904 (1996)

Coauthor Index

1	Terry R. Adams	[6]
2	Ross D. Adamson	[6]
3	Jan W. Andzelm	[3]
4	Nicholas A. Besley	[6]
5	Edward F. C. Byrd	[6]
6	Fora Chan	[1]
7	Holger Daschel	[6]
8	Jeremy P. Dombroski	[6]
9	Jan Florián	[6]
10	Thomas R. Furlani	[6]
11	Andrew T. B. Gilbert	[6]
12	Peter M. W. Gill	[6]
13	Steven R. Gwaltney	[6]
14	Martin Head-Gordon	[6]
15	So Hirata	[6]
16	Chao-Ping Hsu	[6]
17	Naoto Ishikawa	[6]
18	Tomasz Janowski	[14]
19	Benny G. Johnson	[6]
20	Gary S. Kedziora	[6]
21	Don Kinghorn	[14]
22	Jing Kong	[6]
23	Prakashan P. Korambath	[6]
24	Anna I. Krylov	[6]
25	Aaron M. Lee	[6]
26	Michael S. Lee	[6]
27	Gábor Magyarfalvi	[14]
28	Massimo Malagoli	[11] [14]
29	Jason Martin	[13]
30	Paul E. Maslen	[6]
31	David R. Maurice	[6]
32	Alexander V. Mitin	[9]
33	Nikhil Nair	[6]
34	Christian Ochsenfeld	[6]
35	Manabu Oumi	[6]
36	John A. Pople	[6]
37	Peter Pulay	[4] [7] [8] [9] [10] [11] [12] [13] [14]
38	Vitaly A. Rassolov	[6]
39	Svein Saebo	[11] [14]
40	Andrew C. Scheiner	[3]
41	Yihan Shao	[6]
42	David Sherrill	[6]
43	Matt Shirel	[5]
44	Troy A. Van Voorhis	[6]
45	Arieh Warshel	[6]
46	Christopher A. White	[6]
47	Krzysztof Wolinski	[9] [12] [14]
48	Pawel Wolinski	[14]
49	Weimin Zhang	[6]

Colors in the list of coauthors