Robert G. Parr | Scholar Profiles and Rankings

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A reference-free stockholder partitioning method based on the force on electrons (journal article) Fias, Stijn \| Heidar-Zadeh, Farnaz \| Anderson, James S. M. \| Ayers, Paul W. \| Parr, Robert G. Journal of Computational Chemistry, volume 39, issue 17, pages 1044-1050 (2018). 10.1002/jcc.25114 Cited by (8) \| Cite \| Source
Negative Condensed-to-Atom Fukui Functions: A Signature of Oxidation-Induced Reduction of Functional Groups (book chapter) In Correlations in Condensed Matter under Extreme Conditions Echegaray, E. \| Toro-Labbe, A. \| Dikmenli, K. \| Heidar-Zadeh, F. \| Rabi, N. \| Rabi, S. \| Ayers, P. W. \| Cardenas, C. \| Parr, Robert G. \| Anderson, J. S. M. Springer International Publishing (2017) 10.1007/978-3-319-53664-4_19 Cited by (4) \| Cite \| Source
ChemInform Abstract: Is it Impossible to Find the Universal Density Functional? Or Is it Just Well-Hidden? (journal article) Ayers, Paul W. \| Parr, Robert G. ChemInform, volume 45, issue 38, pages no-no (2014). 10.1002/chin.201438289 Cite \| Source
Chemical potential, Teller's theorem, and the scaling of atomic and molecular energies (book chapter) In Many-Body Theory of Molecules, Clusters, and Condensed Phases March, Norman H. \| Parr, Robert G. WORLD SCIENTIFIC (2009) 10.1142/9789814271783_0065 Cite \| Source
Beyond electronegativity and local hardness: Higher-order equalization criteria for determination of a ground-state electron density (journal article) Ayers, Paul W. \| Parr, Robert G. The Journal of Chemical Physics, volume 129, issue 5 (2008). 10.1063/1.2957900 Cited by (57) \| Cite \| Source
Local hardness equalization: Exploiting the ambiguity (journal article) Ayers, Paul W. \| Parr, Robert G. The Journal of Chemical Physics, volume 128, issue 18 (2008). 10.1063/1.2918731 Cited by (94) \| Cite \| Source
Atomic Correlation Energy from the Electron Density at the Nucleus† (journal article) Liu, Shubin \| Parr, Robert G. The Journal of Physical Chemistry A, volume 111, issue 41, pages 10422-10425 (2007). 10.1021/jp073322z Cited by (20) \| Cite \| Source
Approximate scaling properties of the density functional theory Tc for atoms (journal article) Liu, Shubin \| Morrison, Robert C. \| Parr, Robert G. The Journal of Chemical Physics, volume 125, issue 17 (2006). 10.1063/1.2378769 Cited by (24) \| Cite \| Source
Elucidating the hard/soft acid/base principle: A perspective based on half-reactions (journal article) Ayers, Paul W. \| Parr, Robert G. \| Pearson, Ralph G. The Journal of Chemical Physics, volume 124, issue 19 (2006). 10.1063/1.2196882 Cited by (253) \| Cite \| Source
Some late-term thoughts of a density-functional theorist (journal article) Parr, Robert G. Journal of Chemical Sciences, volume 117, issue 6, pages 685-685 (2005). 10.1007/BF02708299 Cited by (5) \| Cite \| Source \| Open Access
Some late-term thoughts of a density-functional theorist (journal article) Parr, Robert G. Journal of Chemical Sciences, volume 117, issue 5, pages 613-615 (2005). 10.1007/BF02708368 Cited by (4) \| Cite \| Source
Fermi-Amaldi model for exchange-correlation: atomic excitation energies from orbital energy differences (journal article) *Ayers , Paul W.** \| Morrison, Robert C. \| Parr, Robert G. Molecular Physics, volume 103, issue 15-16, pages 2061-2072 (2005). 10.1080/00268970500130183 Cited by (50) \| Cite \| Source
What Is an Atom in a Molecule? (journal article) Parr, Robert G. \| Ayers, Paul W. \| Nalewajski, Roman F. The Journal of Physical Chemistry A, volume 109, issue 17, pages 3957-3959 (2005). 10.1021/jp0404596 Cited by (340) \| Cite \| Source
Sufficient condition for monotonic electron density decay in many-electron systems (journal article) Ayers, Paul W. \| Parr, Robert G. International Journal of Quantum Chemistry, volume 95, issue 6, pages 877-881 (2003). 10.1002/qua.10622 Cited by (17) \| Cite \| Source
The Bonding of Quantum Physics with Quantum Chemistry (book chapter) In Walter Kohn Parr, Robert G. Springer Berlin Heidelberg (2003) 10.1007/978-3-642-55609-8_68 Cite \| Source
Representing Potential Energy Functions by Expansions in Orthogonal Polynomials. Generalized SPF Potentials (journal article) Parr, Robert G. \| Ayers, Paul W. The Journal of Physical Chemistry A, volume 106, issue 20, pages 5060-5062 (2002). 10.1021/jp020241o Cited by (2) \| Cite \| Source
Local kinetic energy and local temperature in the density-functional theory of electronic structure (journal article) Ayers, Paul W. \| Parr, Robert G. \| Nagy, Agnes International Journal of Quantum Chemistry, volume 90, issue 1, pages 309-326 (2002). 10.1002/qua.989 Cited by (117) \| Cite \| Source
Reviews Of Modern Quantum Chemistry: A Celebration Of The Contributions Of Robert G. Parr (book) Sen, K. D \| Parr, Robert G. K. D SenRobert G. Parr (2002) Cited by (1) \| Cite
Information Theory Thermodynamics of Molecules and Their Hirshfeld Fragments (journal article) Nalewajski, Roman F. \| Parr, Robert G. The Journal of Physical Chemistry A, volume 105, issue 31, pages 7391-7400 (2001). 10.1021/jp004414q Cited by (148) \| Cite \| Source
Variational Principles for Describing Chemical Reactions. Reactivity Indices Based on the External Potential (journal article) Ayers, Paul W. \| Parr, Robert G. Journal of the American Chemical Society, volume 123, issue 9, pages 2007-2017 (2001). 10.1021/ja002966g Cited by (154) \| Cite \| Source

Title	Investigators	Year	Expiration	Amount
U.S.-Hungary Research on Density Functional Theory	Parr, Robert	08-01-1996	01-31-2002	$10,100
Major Expansion of Computer Facilities for Scientific Research	Tropsha, Alexander \| Hermans, Jan \| Pedersen, Lee \| Berkowitz, Max \| Parr, Robert	08-01-1993	01-31-1996	$76,328
Theoretical Investigations of the Electronic Structure of Molecules	Parr, Robert	03-01-1992	08-31-1994	$160,000
Upgrade of Computer Facility for Molecular Modeling in Biology and Chemistry	Bowen, J. Phillip \| Hermans, Jan \| Pedersen, Lee \| Berkowitz, Max \| Parr, Robert	12-01-1989	05-31-1992	$256,135
Theoretical Investigations of the Electronic Structure of Molecules	Parr, Robert	05-01-1989	10-31-1992	$260,800
Acquisition of a Departmental Minisuper Computer	Carter, Charles \| MacDonald, J.Ross \| Hermans, Jan \| Pedersen, Lee \| Parr, Robert	08-01-1987	01-31-1990	$350,000
Theoretical Investigations of the Electronic Structure of Molecules	Parr, Robert	09-01-1986	11-30-1989	$237,486
Theoretical Investigations of the Electronic Structure of Molecules (Chemistry)	Parr, Robert	03-15-1983	08-31-1986	$329,954
Theoretical Investigations of the Electronic Structure of Molecules	Parr, Robert	02-01-1978	07-31-1983	$467,726
Second International Comgress of Quantum Chemistry, April 19-24, 1976	Parr, Robert	12-01-1975	11-30-1976	$6,000
Theoretical Investigations of the Electronic Structure of Molecules	Parr, Robert	10-01-1974	04-30-1978	$234,000

Title	Investigators	Year	Cost	Agency
FUNDAMENTAL ASPECTS OF DENSITY FUNCTIONAL THEORY	Parr, Robert G	1997	$37,878	NATIONAL CENTER FOR RESEARCH RESOURCES
DENSITY FUNCTIONAL THEORY FOR LARGE MOLECULES	Parr, Robert G	1989	$0	NATIONAL INSTITUTE OF GENERAL MEDICAL SCIENCES
DENSITY FUNCTIONAL THEORY FOR LARGE MOLECULES	Parr, Robert G	1988	$79,894	NATIONAL INSTITUTE OF GENERAL MEDICAL SCIENCES
DENSITY FUNCTIONAL THEORY FOR LARGE MOLECULES	Parr, Robert G	1987	$81,679	NATIONAL INSTITUTE OF GENERAL MEDICAL SCIENCES
DENSITY FUNCTIONAL THEORY FOR LARGE MOLECULES	Parr, Robert G	1986	$76,486	NATIONAL INSTITUTE OF GENERAL MEDICAL SCIENCES
DENSITY FUNCTIONAL THEORY FOR LARGE MOLECULES	Parr, Robert G	1985	$77,358	NATIONAL INSTITUTE OF GENERAL MEDICAL SCIENCES