Robert G. Parr - Publications

Affiliations: 
University of North Carolina, Chapel Hill, Chapel Hill, NC 
Area:
theoretical chemistry
Website:
https://doi.org/10.1002/anie.201705477

226 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2017 Fias S, Heidar-Zadeh F, Anderson JSM, Ayers PW, Parr RG. A reference-free stockholder partitioning method based on the force on electrons. Journal of Computational Chemistry. PMID 29151263 DOI: 10.1002/Jcc.25114  0.821
2014 Ayers PW, Parr RG. Is it impossible to find the universal density functional? or is it just well-hidden? Indian Journal of Chemistry - Section a Inorganic, Physical, Theoretical and Analytical Chemistry. 53: 929-931.  0.629
2009 Weare JH, Parr RG. Remark on the analytical form of Isorbitals in atoms and molecules International Journal of Quantum Chemistry. 1: 163-165. DOI: 10.1002/Qua.560010617  0.611
2008 Ayers PW, Parr RG. Beyond electronegativity and local hardness: Higher-order equalization criteria for determination of a ground-state electron density. The Journal of Chemical Physics. 129: 054111. PMID 18698892 DOI: 10.1063/1.2957900  0.688
2008 Ayers PW, Parr RG. Local hardness equalization: exploiting the ambiguity. The Journal of Chemical Physics. 128: 184108. PMID 18532800 DOI: 10.1063/1.2918731  0.653
2007 Liu S, Parr RG. Atomic correlation energy from the electron density at the nucleus. The Journal of Physical Chemistry. A. 111: 10422-5. PMID 17696327 DOI: 10.1021/Jp073322Z  0.709
2006 Liu S, Morrison RC, Parr RG. Approximate scaling properties of the density functional theory Tc for atoms. The Journal of Chemical Physics. 125: 174109. PMID 17100431 DOI: 10.1063/1.2378769  0.726
2006 Ayers PW, Parr RG, Pearson RG. Elucidating the hard/soft acid/base principle: a perspective based on half-reactions. The Journal of Chemical Physics. 124: 194107. PMID 16729803 DOI: 10.1063/1.2196882  0.622
2005 Parr RG, Ayers PW, Nalewajski RF. What is an atom in a molecule? The Journal of Physical Chemistry. A. 109: 3957-9. PMID 16833715 DOI: 10.1021/Jp0404596  0.653
2005 Ayers PW, Morrison RC, Parr RG. Fermi-Amaldi model for exchange-correlation: Atomic excitation energies from orbital energy differences Molecular Physics. 103: 2061-2072. DOI: 10.1080/00268970500130183  0.688
2005 Parr RG. Some late-term thoughts of a density-functional theorist Journal of Chemical Sciences. 117: 613-615. DOI: 10.1007/Bf02708299  0.426
2003 Ayers PW, Parr RG. Sufficient Condition for Monotonic Electron Density Decay in Many-Electron Systems International Journal of Quantum Chemistry. 95: 877-881. DOI: 10.1002/Qua.10622  0.687
2002 Parr RG, Ayers PW. Representing potential energy functions by expansions in orthogonal polynomials. Generalized SPF potentials Journal of Physical Chemistry A. 106: 5060-5062. DOI: 10.1021/Jp020241O  0.646
2002 Ayers PW, Parr RG, Nagy A. Local kinetic energy and local temperature in the density-functional theory of electronic structure International Journal of Quantum Chemistry. 90: 309-326. DOI: 10.1002/Qua.989  0.706
2001 Ayers PW, Parr RG. Variational principles for describing chemical reactions. Reactivity indices based on the external potential. Journal of the American Chemical Society. 123: 2007-17. PMID 11456823 DOI: 10.1021/Ja002966G  0.664
2001 Nalewajski RF, Parr RG. Information theory thermodynamics of molecules and their Hirshfeld fragments Journal of Physical Chemistry A. 105: 7391-7400. DOI: 10.1021/Jp004414Q  0.432
2000 Nalewajski RF, Parr RG. Information theory, atoms in molecules, and molecular similarity. Proceedings of the National Academy of Sciences of the United States of America. 97: 8879-82. PMID 10922049 DOI: 10.1073/Pnas.97.16.8879  0.363
2000 Ayers PW, Parr RG. A theoretical perspective on the bond length rule of Grochala, Albrecht, Hoffmann Journal of Physical Chemistry A. 104: 2211-2220. DOI: 10.1021/Jp9935079  0.663
2000 Ayers PW, Parr RG. Variational principles for describing chemical reactions: The Fukui function and chemical hardness revisited Journal of the American Chemical Society. 122: 2010-2018. DOI: 10.1021/Ja9924039  0.386
2000 Nagy A, Parr RG. Remarks on density functional theory as a thermodynamics Journal of Molecular Structure: Theochem. 501: 101-106. DOI: 10.1016/S0166-1280(99)00418-2  0.403
2000 Liu S, Parr RG. Homogeneities in density of various LDA energy functionals Journal of Molecular Structure: Theochem. 501: 29-34. DOI: 10.1016/S0166-1280(99)00410-8  0.699
2000 Cedillo A, Chattaraj PK, Parr RG. Atoms-in-Molecules Partitioning of a Molecular Density International Journal of Quantum Chemistry. 77: 403-407. DOI: 10.1002/(Sici)1097-461X(2000)77:1<403::Aid-Qua40>3.0.Co;2-9  0.808
1999 Nagy A, Liu S, Parr RG. Density-functional formulas for atomic electronic energy components in terms of moments of the electron density Physical Review a - Atomic, Molecular, and Optical Physics. 59: 3349-3354. DOI: 10.1103/Physreva.59.3349  0.67
1999 Liu S, Nagy A, Parr RG. Expansion of the density-functional energy components Ec and Tc in terms of moments of the electron density Physical Review a - Atomic, Molecular, and Optical Physics. 59: 1131-1134. DOI: 10.1103/Physreva.59.1131  0.708
1999 Liu S, Ayers PW, Parr RG. Alternative definition of exchange-correlation charge in density functional theory Journal of Chemical Physics. 111: 6197-6203. DOI: 10.1063/1.479924  0.774
1999 Liu S, Proft FD, Nagy A, Parr RG. Exchange-Energy Density Functionals as Linear Combinations of Homogeneous Functionals of Density Advances in Quantum Chemistry. 36: 77-91. DOI: 10.1016/S0065-3276(08)60479-7  0.734
1999 Liu S, Parr RG. Consequences for exchange energy density functional of exponentially decaying nature of atomic electron densities Journal of Computational Chemistry. 20: 2-11. DOI: 10.1002/(Sici)1096-987X(19990115)20:1<2::Aid-Jcc3>3.0.Co;2-2  0.729
1997 Parr RG, Wang YA. Kohn-Sham method as a free-energy minimization at infinite temperature Physical Review a - Atomic, Molecular, and Optical Physics. 55: 3226-3228. DOI: 10.1103/Physreva.55.3226  0.348
1997 Liu S, Parr RG. Expansions of density functionals in terms of homogeneous functionals: Justification and nonlocal representation of the kinetic energy, exchange energy, and classical Coulomb repulsion energy for atoms Physical Review a - Atomic, Molecular, and Optical Physics. 55: 1792-1798. DOI: 10.1103/Physreva.55.1792  0.694
1997 De Proft F, Liu S, Parr RG. Chemical potential, hardness, hardness and softness kernel and local hardness in the isomorphic ensemble of density functional theory Journal of Chemical Physics. 107: 3000-3006. DOI: 10.1063/1.474657  0.681
1997 Liu S, Parr RG. Second-order density-functional description of molecules and chemical changes Journal of Chemical Physics. 106: 5578-5586. DOI: 10.1063/1.473580  0.726
1997 Liu S, De Proft F, Parr RG. Simplified models for hardness kernel and calculations of global hardness Journal of Physical Chemistry A. 101: 6991-6997. DOI: 10.1021/Jp971263R  0.659
1997 Parr RG, Liu S. Consequences for finite electronic systems of homogeneity properties of density-functional energy components Chemical Physics Letters. 280: 159-166. DOI: 10.1016/S0009-2614(97)01115-9  0.706
1997 Parr RG, Liu S. Some functional relations in the density functional theory of finite interacting electronic systems Chemical Physics Letters. 276: 164-166. DOI: 10.1016/S0009-2614(97)01092-0  0.667
1997 Wang YA, Liu S, Parr RG. Laurent series expansions in density functional theory Chemical Physics Letters. 267: 14-22. DOI: 10.1016/S0009-2614(97)00074-2  0.714
1996 Morrison RC, Parr RG. Employing homogeneity properties of density functionals to determine the total electronic energy. Physical Review. A. 53: R2918-R2920. PMID 9913324 DOI: 10.1103/Physreva.53.R2918  0.459
1996 Nagy Á, Parr RG, Liu S. Local temperature in an electronic system. Physical Review. A. 53: 3117-3121. PMID 9913251 DOI: 10.1103/Physreva.53.3117  0.665
1996 Liu S, Parr RG. Expansions of the correlation-energy density functional Ec Physical Review. A. 53: 2211-2219. PMID 9913129 DOI: 10.1103/Physreva.53.2211  0.69
1996 Cedillo A, Parr RG. Hückel-type semiempirical implementation of a variational method for determining electronic band gaps Journal of Chemical Physics. 105: 9557-9560. DOI: 10.1063/1.472787  0.792
1996 Kohn W, Becke AD, Parr RG. Density Functional Theory of Electronic Structure The Journal of Physical Chemistry. 100: 12974-12980. DOI: 10.1021/Jp960669L  0.453
1996 Chattaraj PK, Cedillo A, Parr RG. Chemical softness in model electronic systems: Dependence on temperature and chemical potential Chemical Physics. 204: 429-437. DOI: 10.1016/0301-0104(95)00276-6  0.77
1996 Chattaraj PK, Ghosh SK, Liu S, Parr RG. Exchange-correlation potential and excited-state density functional theory International Journal of Quantum Chemistry. 60: 535-543. DOI: 10.1002/(Sici)1097-461X(1996)60:1<535::Aid-Qua52>3.0.Co;2-6  0.756
1996 Nagy A, Parr RG. Information entropy as a measure of the quality of an approximate electronic wave function International Journal of Quantum Chemistry. 58: 323-327. DOI: 10.1002/(Sici)1097-461X(1996)58:4<323::Aid-Qua1>3.0.Co;2-#  0.39
1996 Kohn W, Becke AD, Parr RG. Density functional theory of electronic structure The Journal of Physical Chemistry®. 100: 12974-12980.  0.306
1995 Parr RG, Yang W. Density-functional theory of the electronic structure of molecules. Annual Review of Physical Chemistry. 46: 701-28. PMID 24341393 DOI: 10.1146/Annurev.Pc.46.100195.003413  0.678
1995 Liu S, Parr RG, Nagy A. Cusp relations for local strongly decaying properties in electronic systems. Physical Review. A. 52: 2645-2651. PMID 9912546 DOI: 10.1103/Physreva.52.2645  0.707
1995 Parr RG, Liu S, Kugler AA, Nagy Á. Some identities in density-functional theory. Physical Review. A. 52: 969-976. PMID 9912336 DOI: 10.1103/Physreva.52.969  0.676
1995 Parr RG, Ghosh SK. Toward understanding the exchange-correlation energy and total-energy density functionals. Physical Review. A. 51: 3564-3570. PMID 9912021 DOI: 10.1103/Physreva.51.3564  0.559
1995 Chattaraj PK, Cedillo A, Parr RG. Variational method for determining the Fukui function and chemical hardness of an electronic system The Journal of Chemical Physics. 103: 7645-7646. DOI: 10.1063/1.470284  0.793
1995 Baekelandt BG, Cedillo A, Parr RG. Reactivity indices and fluctuation formulas in density functional theory: Isomorphic ensembles and a new measure of local hardness The Journal of Chemical Physics. 103: 8544-8547. DOI: 10.1063/1.470165  0.809
1995 Chattaraj PK, Cedillo A, Parr RG. Fukui function from a gradient expansion formula, and estimate of hardness and covalent radius for an atom The Journal of Chemical Physics. 103: 10621-10626. DOI: 10.1063/1.469847  0.814
1995 Chattaraj PK, Cedillo A, Parr RG, Arnett EM. Appraisal of chemical bond making, bond breaking, and electron transfer in solution in the light of the principle of maximum hardness The Journal of Organic Chemistry. 60: 4707-4714. DOI: 10.1021/Jo00120A010  0.769
1995 Liu GH, Parr RG. On atomic and orbital electronegativities and hardnesses Journal of the American Chemical Society. 117: 3179-3188. DOI: 10.1021/Ja00116A023  0.517
1995 Chattaraj PK, Liu GH, Parr RG. The maximum hardness principle in the Gyftopoulos-Hatsopoulos three-level model for an atomic or molecular species and its positive and negative ions Chemical Physics Letters. 237: 171-176. DOI: 10.1016/0009-2614(95)00280-H  0.56
1994 Zhao Q, Morrison RC, Parr RG. From electron densities to Kohn-Sham kinetic energies, orbital energies, exchange-correlation potentials, and exchange-correlation energies. Physical Review. A. 50: 2138-2142. PMID 9911123 DOI: 10.1103/Physreva.50.2138  0.441
1994 Zhao Q, Parr RG. Reply to "Comment on 'Local exchange-correlation functional: Numerical test for atoms and ions' " Physical Review. A. 49: 5156. PMID 9910850 DOI: 10.1103/Physreva.49.5156  0.382
1994 Parr RG. Aspects of density functional theory Philosophical Magazine B: Physics of Condensed Matter; Statistical Mechanics, Electronic, Optical and Magnetic Properties. 69: 737-743. DOI: 10.1007/978-1-4899-2142-0_2  0.496
1993 Wang Y, Parr RG. Construction of exact Kohn-Sham orbitals from a given electron density. Physical Review. A. 47: R1591-R1593. PMID 9909208 DOI: 10.1103/Physreva.47.R1591  0.403
1993 Zhao Q, Levy M, Parr RG. Applications of coordinate-scaling procedures to the exchange-correlation energy. Physical Review. A. 47: 918-922. PMID 9909011 DOI: 10.1103/Physreva.47.918  0.443
1993 Zhao Q, Parr RG. Constrained-search method to determine electronic wave functions from electronic densities The Journal of Chemical Physics. 98: 543-548. DOI: 10.1063/1.465093  0.437
1993 Morrison RC, Zhou Z, Parr RG. The question of the completeness of the natural orbitals with nonzero occupation numbers for atoms and molecules Theoretica Chimica Acta. 86: 3-11. DOI: 10.1007/Bf01113512  0.422
1992 Zhao Q, Parr RG. Quantities Ts Physical Review. A. 46: 2337-2343. PMID 9908391 DOI: 10.1103/Physreva.46.2337  0.39
1992 Parr RG. Implications of the virial theorem for quantum-chemical calculations of vibrational frequencies and equilibrium distances Chemical Physics Letters. 198: 25-26. DOI: 10.1016/0009-2614(92)90043-M  0.331
1992 Zhou Z, Chattaraj PK, Parr RG, Lee C. First-order gradient correction for the exchange-energy density functional for atoms Theoretica Chimica Acta. 84: 237-243. DOI: 10.1007/Bf01113210  0.589
1992 Zhou Z, Parr RG. Thomas–Fermi–Dirac models of atoms constrained by nuclear cusp and long‐range conditions International Journal of Quantum Chemistry. 42: 1759-1769. DOI: 10.1002/Qua.560420613  0.472
1992 Tachibana A, Parr RG. On the redistribution of electrons for chemical reaction systems International Journal of Quantum Chemistry. 41: 527-555. DOI: 10.1002/Qua.560410402  0.365
1991 Fuentealba P, Parr RG. Higher-order derivatives in density-functional theory, especially the hardness derivative ∂η/∂N The Journal of Chemical Physics. 94: 5559-5564. DOI: 10.1063/1.460491  0.641
1991 Harbola MK, Parr RG, Lee C. Hardnesses from electrostatic potentials The Journal of Chemical Physics. 94: 6055-6056. DOI: 10.1063/1.460443  0.338
1991 Parr RG, Chattaraj PK. Principle of maximum hardness Journal of the American Chemical Society. 113: 1854-1855. DOI: 10.1021/Ja00005A072  0.473
1991 Morrison RC, Parr RG. Approximate density matrices and Husimi functions using the maximum entropy formulation with constraints International Journal of Quantum Chemistry. 39: 823-837. DOI: 10.1002/Qua.560390607  0.451
1991 Harbola MK, Chattaraj PK, Parr RG. Aspects of the Softness and Hardness Concepts of Density-Functional Theory Israel Journal of Chemistry. 31: 395-402. DOI: 10.1002/Ijch.199100045  0.581
1990 Lee C, Parr RG. Exchange-correlation functional for atoms and molecules. Physical Review. A. 42: 193-200. PMID 9903792 DOI: 10.1103/Physreva.42.193  0.44
1990 Lee C, Zdravkovic S, Parr RG. Additivity of the one-third power of the electron density in the hydrogen molecule-ion and hydrogen molecule The Journal of Chemical Physics. 92: 2114-2115. DOI: 10.1063/1.457995  0.368
1990 Morrison RC, Yang W, Parr RG, Lee C. Approximate density matrices and wigner distribution functions from density, kinetic energy density, and idempotency constraints International Journal of Quantum Chemistry. 38: 819-830. DOI: 10.1002/Qua.560380605  0.685
1988 Lee C, Yang W, Parr RG. Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density. Physical Review. B, Condensed Matter. 37: 785-789. PMID 9944570 DOI: 10.1103/Physrevb.37.785  0.697
1988 Berkowitz M, Parr RG. Molecular hardness and softness, local hardness and softness, hardness and softness kernels, and relations among these quantities The Journal of Chemical Physics. 88: 2554-2557. DOI: 10.1063/1.454034  0.348
1988 Parr RG. Derivation of a local formula for electron-electron repulsion energy Journal of Physical Chemistry. 92: 3060-3061. DOI: 10.1021/J100322A010  0.39
1988 Zhou Z, Parr RG, F. Garst J. Absolute hardness as a measure of aromaticity Tetrahedron Letters. 29: 4843-4846. DOI: 10.1016/S0040-4039(00)80623-1  0.308
1988 Lee C, Yang W, Parr RG. Local softness and chemical reactivity in the molecules CO, SCN- and H2CO Journal of Molecular Structure: Theochem. 163: 305-313. DOI: 10.1016/0166-1280(88)80397-X  0.671
1988 Bartolotti LJ, Parr RG, Tal Y. Thomas–Fermi theory from a perturbative treatment of the hydrogenic limit energy density functional: A possible link to local density functional theory International Journal of Quantum Chemistry. 34: 509-515. DOI: 10.1002/Qua.560340604  0.459
1987 Lee C, Parr RG. Gaussian and other approximations to the first-order density matrix of electronic systems, and the derivation of various local-density-functional theories. Physical Review. A. 35: 2377-2383. PMID 9898425 DOI: 10.1103/Physreva.35.2377  0.428
1987 Ghosh SK, Parr RG. Toward a semiempirical density functional theory of chemical binding Theoretica Chimica Acta. 72: 379-391. DOI: 10.1007/Bf01192230  0.525
1987 Yang W, Parr RG, Uytterhoeven L. New relation between hardness and compressibility of minerals Physics and Chemistry of Minerals. 15: 191-195. DOI: 10.1007/BF00308783  0.516
1986 Parr RG, Ghosh SK. Thomas-Fermi theory for atomic systems. Proceedings of the National Academy of Sciences of the United States of America. 83: 3577-9. PMID 16593701 DOI: 10.1073/Pnas.83.11.3577  0.55
1986 Parr RG, Rupnik K, Ghosh SK. Phase-space approach to the density-functional calculation of Compton profiles of atoms and molecules. Physical Review Letters. 56: 1555-1558. PMID 10032707 DOI: 10.1103/Physrevlett.56.1555  0.524
1986 Yang W, Parr RG, Lee C. Various functionals for the kinetic energy density of an atom or molecule. Physical Review. A. 34: 4586-4590. PMID 9897838 DOI: 10.1103/Physreva.34.4586  0.692
1986 Ghosh SK, Parr RG. Phase-space approach to the exchange-energy functional of density-functional theory. Physical Review. A. 34: 785-791. PMID 9897335 DOI: 10.1103/Physreva.34.785  0.485
1986 Parr RG. Atoms in molecules: Reply to Bader's Comment The Journal of Chemical Physics. 85: 3135. DOI: 10.1063/1.450978  0.339
1986 Li L, Parr RG. The atom in a molecule: A density matrix approach The Journal of Chemical Physics. 84: 1704-1711. DOI: 10.1063/1.450468  0.454
1986 Rychlewski J, Parr RG. The atom in a molecule: A wave function approach The Journal of Chemical Physics. 84: 1696-1703. DOI: 10.1063/1.450467  0.467
1985 Politzer P, Parr RG, Murphy DR. Approximate determination of Wigner-Seitz radii from free-atom wave functions. Physical Review. B, Condensed Matter. 31: 6809-6810. PMID 9935571 DOI: 10.1103/Physrevb.31.6809  0.332
1985 Graves JL, Parr RG. Possible universal scaling properties of potential-energy curves for diatomic molecules. Physical Review. A. 31: 1-4. PMID 9895447 DOI: 10.1103/Physreva.31.1  0.329
1985 Yang W, Parr RG. Hardness, softness, and the fukui function in the electronic theory of metals and catalysis. Proceedings of the National Academy of Sciences of the United States of America. 82: 6723-6. PMID 3863123 DOI: 10.1073/Pnas.82.20.6723  0.621
1985 Shankar S, Parr RG. Electronegativity and hardness as coordinates in structure stability diagrams. Proceedings of the National Academy of Sciences of the United States of America. 82: 264-6. PMID 3855552 DOI: 10.1073/Pnas.82.2.264  0.302
1985 Levy M, Yang W, Parr RG. A new functional with homogeneous coordinate scaling in density functional theory: F[ρ, λ] The Journal of Chemical Physics. 83: 2334-2336. DOI: 10.1063/1.449326  0.665
1985 Ghosh SK, Parr RG. Density‐determined orthonormal orbital approach to atomic energy functionalsa) Journal of Chemical Physics. 82: 3307-3315. DOI: 10.1063/1.448229  0.589
1985 Berkowitz M, Ghosh SK, Parr RG. On the concept of local hardness in chemistry Journal of the American Chemical Society. 107: 6811-6814. DOI: 10.1021/Ja00310A011  0.358
1985 Chen M, Parr RG. A constant‐denominator perturbation theory using circulant orbitals International Journal of Quantum Chemistry. 27: 731-741. DOI: 10.1002/Qua.560270609  0.617
1984 Ghosh SK, Berkowitz M, Parr RG. Transcription of ground-state density-functional theory into a local thermodynamics. Proceedings of the National Academy of Sciences of the United States of America. 81: 8028-31. PMID 6595675 DOI: 10.1073/Pnas.81.24.8028  0.499
1984 Yang W, Parr RG, Pucci R. Electron density, Kohn-Sham frontier orbitals, and Fukui functions The Journal of Chemical Physics. 81: 2862-2863. DOI: 10.1063/1.447964  0.693
1984 Parr RG. Remarks on the concept of an atom in a molecule and on charge transfer between atoms on molecule formation International Journal of Quantum Chemistry. 26: 687-692. DOI: 10.1002/Qua.560260508  0.422
1984 Parr RG, Yang W. Density functional approach to the frontier-electron theory of chemical reactivity Journal of the American Chemical Society. 106: 4049-4050. DOI: 10.1002/Chin.198442067  0.671
1984 Ghosh SK, Parr RG. Density-determined orthonormal orbital approach to atomic energy functional The Journal of Chemical Physics. 82: 3307-3315.  0.348
1983 Parr RG. Density Functional Theory Annual Review of Physical Chemistry. 34: 95-100. DOI: 10.1146/Annurev.Pc.34.100183.003215  0.34
1983 Politzer P, Parr RG, Murphy DR. Relationships between atomic chemical potentials, electrostatic potentials, and covalent radii The Journal of Chemical Physics. 79: 3859-3861. DOI: 10.1063/1.446251  0.447
1983 Nyden MR, Parr RG. Restatement of conventional electronic wave function determination as a density functional procedure The Journal of Chemical Physics. 78: 4044-4047. DOI: 10.1063/1.445130  0.46
1983 Parr RG, Pearson RG. Absolute hardness: companion parameter to absolute electronegativity Journal of the American Chemical Society. 105: 7512-7516. DOI: 10.1021/Ja00364A005  0.346
1983 Parr RG, Bartolotti LJ. Some remarks on the density functional theory of few-electron systems Journal of Physical Chemistry. 87: 2810-2815. DOI: 10.1021/J100238A023  0.333
1982 Pauncz R, Chen MB, Parr RG. Circulant orbitals and the electron-correlation problem. Proceedings of the National Academy of Sciences of the United States of America. 79: 705-9. PMID 16593152 DOI: 10.1073/Pnas.79.2.705  0.606
1982 Perdew JP, Parr RG, Levy M, Balduz JL. Density-functional theory for fractional particle number: Derivative discontinuities of the energy Physical Review Letters. 49: 1691-1694. DOI: 10.1103/Physrevlett.49.1691  0.447
1982 Nalewajski RF, Parr RG. Legendre transforms and Maxwell relations in density functional theory The Journal of Chemical Physics. 77: 399-407. DOI: 10.1063/1.443620  0.405
1982 Capitani JF, Nalewajski RF, Parr RG. Non‐Born–Oppenheimer density functional theory of molecular systems Journal of Chemical Physics. 76: 568-573. DOI: 10.1063/1.442703  0.435
1981 March NH, Parr RG, Mucci JF. The kinetic energy change on covalent bond formation. Proceedings of the National Academy of Sciences of the United States of America. 78: 5942-5. PMID 16593098 DOI: 10.1073/Pnas.78.10.5942  0.382
1981 Parr RG, Chen MB. Circulant orbitals for atoms and molecules. Proceedings of the National Academy of Sciences of the United States of America. 78: 1323-6. PMID 16592989 DOI: 10.1073/Pnas.78.3.1323  0.588
1981 Bartolotti LJ, Parr RG. Gradient expansion of the classical Coulomb energy of an atomic charge distribution Journal of Chemical Physics. 75: 4553-4555. DOI: 10.1063/1.442623  0.436
1981 Katriel J, Parr RG, Nyden MR. Concerning the chemical potential of few‐electron systems Journal of Chemical Physics. 74: 2397-2401. DOI: 10.1063/1.441360  0.397
1980 Acharya PK, Bartolotti LJ, Sears SB, Parr RG. An atomic kinetic energy functional with full Weizsacker correction. Proceedings of the National Academy of Sciences of the United States of America. 77: 6978-82. PMID 16592931 DOI: 10.1073/Pnas.77.12.6978  0.417
1980 March NH, Parr RG. Chemical potential, Teller's theorem, and the scaling of atomic and molecular energies. Proceedings of the National Academy of Sciences of the United States of America. 77: 6285-8. PMID 16592908 DOI: 10.1073/Pnas.77.11.6285  0.481
1980 Ray NK, Parr RG. Diamagnetic shieldings of atoms in molecules and their relation to electronegativity Journal of Chemical Physics. 73: 1334-1339. DOI: 10.1063/1.440247  0.399
1980 Parr RG, Gadre SR. On the basic homogeneity characteristic of atomic and molecular electronic energies The Journal of Chemical Physics. 72: 3669-3673. DOI: 10.1063/1.439576  0.627
1980 Bartolotti LJ, Parr RG. The concept of pressure in density functional theory Journal of Chemical Physics. 72: 1593-1596. DOI: 10.1063/1.439358  0.4
1980 Bartolotti LJ, Gadre SR, Parr RG. Electronegativities of the elements from simple .CHI..alpha. theory Journal of the American Chemical Society. 102: 2945-2948. DOI: 10.1021/Ja00529A013  0.487
1980 Sears SB, Parr RG, Dinur U. On the Quantum‐Mechanical Kinetic Energy as a Measure of the Information in a Distribution Israel Journal of Chemistry. 19: 165-173. DOI: 10.1002/Ijch.198000018  0.341
1980 Ray NK, Parr RG. Diamagnetic Shieldings Of Atoms In Molecules And Their Relation To Electronegativity Cheminform. 11. DOI: 10.1002/Chin.198047057  0.348
1980 BARTOLOTTI LJ, GADRE SR, PARR RG. ChemInform Abstract: ELECTRONEGATIVITIES OF THE ELEMENTS FROM SIMPLE χα THEORY Chemischer Informationsdienst. 11. DOI: 10.1002/Chin.198029001  0.507
1979 Parr RG, Gadre SR, Bartolotti LJ. Local density functional theory of atoms and molecules. Proceedings of the National Academy of Sciences of the United States of America. 76: 2522-6. PMID 16592663 DOI: 10.1073/Pnas.76.6.2522  0.672
1979 Morell GO, Parr RG. Estimates of helium l‐limit energies Journal of Chemical Physics. 71: 4139-4141. DOI: 10.1063/1.438186  0.321
1979 Rayb) NK, Samuelsc) L, Parr RG. Studies of electronegativity equalization The Journal of Chemical Physics. 70: 3680-3684. DOI: 10.1063/1.437970  0.445
1979 Murphy DR, Parr RG. Gradient expansion of the kinetic energy density functional: Local behavior of the kinetic energy density Chemical Physics Letters. 60: 377-379. DOI: 10.1016/0009-2614(79)80592-8  0.35
1978 Zerner MC, Parr RG. Simple molecular orbital treatment of diatomic force constants Journal of Chemical Physics. 69: 3858-3867. DOI: 10.1063/1.437052  0.411
1978 Donnelly RA, Parr RG. Elementary properties of an energy functional of the first‐order reduced density matrix Journal of Chemical Physics. 69: 4431-4439. DOI: 10.1063/1.436433  0.381
1978 Parr RG, Donnelly RA, Levy M, Palke WE. Electronegativity: The density functional viewpoint The Journal of Chemical Physics. 68: 3801-3807. DOI: 10.1063/1.436185  0.553
1978 Gázquez JL, Parr RG. Two‐parameter statistical model for atoms Journal of Chemical Physics. 68: 2323-2326. DOI: 10.1063/1.436002  0.794
1978 Gázquez JL, Ray NK, Parr RG. Simple electrostatic models for vibrating unsymmetrical triatomic molecules and triatomic ions Theoretical Chemistry Accounts. 49: 1-11. DOI: 10.1007/Bf00552733  0.303
1977 Wang W, Parr RG. Statistical atomic models with piecewise exponentially decaying electron densities Physical Review A. 16: 891-902. DOI: 10.1103/Physreva.16.891  0.492
1977 Nalewajski RF, Parr RG. Use of the virial theorem in construction of potential energy functions for diatomic molecules Journal of Chemical Physics. 67: 1324-1334. DOI: 10.1063/1.435031  0.326
1977 Bartlett RJ, Parr RG. Polyatomic force constants from charge densities and field gradients The Journal of Chemical Physics. 67: 5828-5837. DOI: 10.1063/1.434790  0.506
1977 Stuebing EW, Weare JH, Parr RG. Discontinuous approximate molecular electronic wave-functions International Journal of Quantum Chemistry. 11: 81-102. DOI: 10.1002/Qua.560110108  0.674
1976 Nee T, Parr RG, Bartlett RJ. Direct determination of the rotational barrier in ethane using perturbation theory The Journal of Chemical Physics. 64: 2216-2225. DOI: 10.1063/1.432448  0.515
1976 Politzer P, Parr RG. Separation of core and valence regions in atoms The Journal of Chemical Physics. 64: 4634-4637. DOI: 10.1063/1.432047  0.427
1975 Nakatsuji H, Parr RG. Variational principles which are functionals of electron density Journal of Chemical Physics. 63: 1112-1117. DOI: 10.1063/1.431435  0.414
1975 Levy M, Nee T, Parr RG. Method for direct determination of localized orbitals The Journal of Chemical Physics. 63: 316-318. DOI: 10.1063/1.431100  0.49
1974 Politzer P, Parr RG. Some new energy formulas for atoms and molecules The Journal of Chemical Physics. 61: 4258-4262. DOI: 10.1063/1.1681726  0.441
1974 Dunbar IH, Maclagan RGAR, Parr RG. Concerning atomic radii Journal of Molecular Structure. 23: 121-129. DOI: 10.1016/0022-2860(74)85061-1  0.47
1973 Nee T, Parr RG, Chang SY. Variation‐perturbation treatment of the molecular interaction energy in H2+ Journal of Chemical Physics. 59: 4911-4914. DOI: 10.1063/1.1680705  0.386
1973 Simons G, Parr RG, Finlan JM. New alternative to the Dunham potential for diatomic molecules Journal of Chemical Physics. 59: 3229-3234. DOI: 10.1063/1.1680464  0.379
1973 Henderson GA, Parr RG. Three-dimensional bond-charge models for potential curves of diatomic molecules Theoretical Chemistry Accounts. 31: 103-109. DOI: 10.1007/Bf00527430  0.35
1972 Parr RG, Finlan JM, Schnuelle GW. Static Charge Distributions Which Generate Exact Potential Curves For Diatomic Molecules. Chemical Physics Letters. 14: 72-73. DOI: 10.1016/0009-2614(72)87144-6  0.438
1972 Anderson AB, Parr RG. A poisson equation for vibrational potentials of diatomic molecules Theoretical Chemistry Accounts. 26: 301-310. DOI: 10.1007/Bf01036243  0.622
1972 Jug K, Parr RG. On the rules of Scheibe Theoretical Chemistry Accounts. 24: 147-151. DOI: 10.1007/Bf00641395  0.368
1971 Weber TA, Parr RG. Hartree-Fock Theory with Exchange Cutoff Physical Review A. 3: 81-86. DOI: 10.1103/Physreva.3.81  0.309
1971 Simons G, Parr RG. Development of the Bond‐Charge Model for Vibrating Diatomic Molecules Journal of Chemical Physics. 55: 4197-4202. DOI: 10.1063/1.1676736  0.41
1971 Anderson AB, Parr RG. Diatomic Vibrational Potential Functions from Integration of a Poisson Equation Journal of Chemical Physics. 55: 5490-5493. DOI: 10.1063/1.1675714  0.551
1971 Brown JE, Parr RG. Vibrational Potential Functions for CO2, OCS, HCN, and N2O Journal of Chemical Physics. 54: 3429-3438. DOI: 10.1063/1.1675361  0.376
1971 Weber TA, Weare JH, Parr RG. Extensions of the Hulthén Orbital Concept Journal of Chemical Physics. 54: 1865-1871. DOI: 10.1063/1.1675108  0.613
1971 Anderson AB, Parr RG. Universal force constant relationships and a definition of atomic radius Chemical Physics Letters. 10: 293-296. DOI: 10.1016/0009-2614(71)80291-9  0.586
1970 Anderson AB, Parr RG. Vibrational Force Constants from Electron Densities Journal of Chemical Physics. 53: 3375-3376. DOI: 10.1063/1.1674492  0.569
1970 Anderson AB, Parr RG. SINGLE-CENTER VARIATIONAL CALCULATIONS WITH BASIS FUNCTIONS DEPENDING ON r . Journal of Chemical Physics. 53: 4098-4100. DOI: 10.1063/1.1673888  0.573
1970 Marron MT, Parr RG. Dissociation Of The Hydrogen Molecule--Ion From The Viewpoint Of The Integral Hellmann--Feynman Formula. Journal of Chemical Physics. 52: 2109-2127. DOI: 10.1063/1.1673264  0.763
1970 Weber TA, Handy NC, Parr RG. Self‐Consistent‐Field Atomic Wavefunctions from Efficient Nested Basis Sets Journal of Chemical Physics. 52: 1501-1507. DOI: 10.1063/1.1673159  0.566
1970 Marron MT, Handy NC, Parr RG, Silverstone HJ. Solution of the Hartree-Fock problem by expansion onto nested bases International Journal of Quantum Chemistry. 4: 245-255. DOI: 10.1002/Qua.560040303  0.792
1969 Anderson AB, Handy NC, Parr RG. Relationships between Vibrational Force Constants and Quadrupole Coupling Constants for Molecules and Solids Journal of Chemical Physics. 50: 3634-3635. DOI: 10.1063/1.1671599  0.608
1969 Weare JH, Weber TA, Parr RG. HULTHEN APPROXIMATIONS TO 1s AND 2p ORBITALS OF ATOMS. Journal of Chemical Physics. 50: 4393-4401. DOI: 10.1063/1.1670909  0.641
1969 Takahata Y, Parr RG. On the quantum-mechanical virial theorem for molecular bending motions☆ Chemical Physics Letters. 4: 109-110. DOI: 10.1016/0009-2614(69)80068-0  0.406
1968 Kim H, Parr RG. One‐Center Perturbation Approach to Molecular Electronic Energies. IV. Ten‐Electron Molecules of Type MHk Journal of Chemical Physics. 49: 3071-3083. DOI: 10.1063/1.1670550  0.407
1968 Parr RG, White RJ. Perturbation‐Theoretic Approach to Potential‐Energy Curves of Diatomic Molecules Journal of Chemical Physics. 49: 1059-1062. DOI: 10.1063/1.1670192  0.389
1968 Parr RG, Borkman RF. Simple Bond‐Charge Model for Potential‐Energy Curves of Homonuclear Diatomic Molecules Journal of Chemical Physics. 49: 1055-1058. DOI: 10.1063/1.1670191  0.418
1968 Parr RG, Brown JE. Toward Understanding Vibrations of Polyatomic Molecules Journal of Chemical Physics. 49: 4849-4852. DOI: 10.1063/1.1669969  0.371
1968 Parr RG, Borkman RF, Marron MT. Integral Virial Theorem and Generalized Differential Hellmann–Feynman Formula Journal of Chemical Physics. 48: 1425-1426. DOI: 10.1063/1.1668837  0.682
1968 Borkman RF, Parr RG. Toward an Understanding of Potential‐Energy Functions for Diatomic Molecules Journal of Chemical Physics. 48: 1116-1126. DOI: 10.1063/1.1668772  0.365
1967 Hayes EF, Parr RG. Single-Center Expansions of Molecular Electronic Wavefunctions Progress of Theoretical Physics Supplement. 40: 78-105. DOI: 10.1143/Ptps.40.78  0.366
1967 Hayes EF, Parr RG. Accurate Single‐Center Expansions with Slater‐Type Orbitals: Hydrogen Atom and Hydrogen Molecule—Ion Journal of Chemical Physics. 46: 3577-3585. DOI: 10.1063/1.1841260  0.407
1967 Hauk P, Hojing K, Parr RG, Hameka HF. One-center perturbation approach to molecular electronic energies. III. One-electron systems The Journal of Chemical Physics. 47: 2677-2684. DOI: 10.1063/1.1712284  0.424
1967 King HF, Stanton RE, Kim H, Wyatt RE, Parr RG. Corresponding Orbitals and the Nonorthogonality Problem in Molecular Quantum Mechanics Journal of Chemical Physics. 47: 1936-1941. DOI: 10.1063/1.1712221  0.545
1967 Epstein ST, Hurley AC, Wyatt RE, Parr RG. Integrated and Integral Hellmann—Feynman Formulas The Journal of Chemical Physics. 47: 1275-1286. DOI: 10.1063/1.1712080  0.492
1967 Hayes EF, Parr RG. Determination of Accurate Single‐Center Expansions with Slater‐Type Orbitals: The H3 System Journal of Chemical Physics. 47: 3961-3967. DOI: 10.1063/1.1701559  0.386
1967 Melrose MP, Parr RG. Some integral Hellmann-Feynman calculations on hydrogen peroxide and ammonia Theoretical Chemistry Accounts. 8: 150-156. DOI: 10.1007/Bf00526370  0.33
1966 Parr RG, Weare JH. Hulthén Orbital and Hulthén Correlation Factor for the Ground State of Heliumlike Systems Progress of Theoretical Physics. 36: 854-855. DOI: 10.1143/Ptp.36.854  0.563
1966 Lowe JP, Parr RG. Semiempirical treatment of hindered rotation in simple hydrides and halosubstituted ethanelike molecules The Journal of Chemical Physics. 44: 3001-3009. DOI: 10.1063/1.1727170  0.558
1965 Wyatt RE, Parr RG. Theory of the Origin of the Internal‐Rotation Barrier in the Ethane Molecule. I Journal of Chemical Physics. 43: 1529-1545. DOI: 10.1063/1.1701493  0.608
1965 Lowe JP, Parr RG. Internal rotation in hydrogen peroxide and methyl alcohol: A simple electrostatic model The Journal of Chemical Physics. 43: 2565-2566. DOI: 10.1063/1.1697171  0.455
1965 Hauk P, Parr RG. One‐Center Perturbation Approach to Molecular Electronic Energies. II. Exact Wavefunctions and Energies for H2+‐Like Molecular Puffs Journal of Chemical Physics. 43: 548-552. DOI: 10.1063/1.1696779  0.385
1965 Gimarc BM, Cooney WA, Parr RG. Range of Electron Correlation in the Helium Atom Journal of Chemical Physics. 42: 21-25. DOI: 10.1063/1.1695678  0.377
1964 Kim HJ, Parr RG. Integral Hellmann—Feynman Theorem Journal of Chemical Physics. 41: 2892-2897. DOI: 10.1063/1.1726371  0.394
1964 Zung JT, Parr RG. Approximate Hartree—Fock Wavefunction for the Helium Atom Journal of Chemical Physics. 41: 2888-2892. DOI: 10.1063/1.1726370  0.468
1964 Wyatt RE, Parr RG. One‐Electron Perturbations in Self‐Consistent Field Theory The Journal of Chemical Physics. 41: 514-520. DOI: 10.1063/1.1725900  0.498
1964 Wyatt RE, Parr RG. Origin of the Barrier Hindering Internal Rotation in Ethane The Journal of Chemical Physics. 41: 3262-3263. DOI: 10.1063/1.1725713  0.444
1964 Turner AG, Saturno AF, Hauk P, Parr RG. Description of the Distribution of Electrons in the Methane Molecule Journal of Chemical Physics. 40: 1919-1928. DOI: 10.1063/1.1725423  0.434
1964 Turner AG, Honig BH, Parr RG, Hoyland JR. Off-Center Hydrogen Atom Calculations Journal of Chemical Physics. 40: 3216-3220. DOI: 10.1063/1.1724988  0.366
1963 Bishop DM, Hoyland JR, Parr RG. Simple one-centre calculation of breathing force constants and equilibrium internuclear distances for NH3, H2O and HF Molecular Physics. 6: 467-476. DOI: 10.1080/00268976300100521  0.315
1963 Karplus M, Parr RG. An Approach to the Internal Rotation Problem The Journal of Chemical Physics. 38: 1547-1552. DOI: 10.1063/1.1776918  0.41
1963 Hauk P, Parr RG, Hameka HF. One-center perturbation approach to molecular electronic energies. I. Exposition of the method The Journal of Chemical Physics. 39: 2081-2084. DOI: 10.1063/1.1734586  0.437
1963 Hoyland JR, Parr RG. Magnetic Properties of Molecules from One‐Center Wavefunctions. Theory and Application to the Hydrogen Molecule Journal of Chemical Physics. 38: 2991-2998. DOI: 10.1063/1.1733632  0.329
1963 Parr RG. Theories of electrons in molecules Journal of Physics and Chemistry of Solids. 24: 1150-1151. DOI: 10.1016/0022-3697(63)90032-5  0.376
1961 Companion AL, Parr RG. Remark on the Mulliken Approximation for Two‐Center Electron Distributions Journal of Chemical Physics. 35: 2268-2269. DOI: 10.1063/1.1732270  0.331
1961 Parr RG, Snyder LC. Perturbation Theory Calculations Journal of Chemical Physics. 35: 1898-1899. DOI: 10.1063/1.1732168  0.32
1961 Ludwig OG, Parr RG. On the Introduction of Arbitrary Angular Peakedness into Atomic Orbitals Journal of Chemical Physics. 35: 754-755. DOI: 10.1063/1.1732004  0.358
1961 Snyder LC, Parr RG. Problems in Perturbation Theory Calculation of Diamagnetic Susceptibility and Nuclear Magnetic Shielding in Molecules. Illustration with the Hydrogen Atom Journal of Chemical Physics. 34: 837-842. DOI: 10.1063/1.1731683  0.345
1961 Snyder LC, Parr RG. Extraordinary Basic Functions in Valence Theory Journal of Chemical Physics. 34: 1661-1665. DOI: 10.1063/1.1701061  0.511
1960 Parr RG. Three Remarks on Molecular Orbital Theory of Complex Molecules Journal of Chemical Physics. 33: 1184-1199. DOI: 10.1063/1.1731354  0.406
1960 Saturno AF, Parr RG. A One‐Center Wave Function for the Methane Molecule Journal of Chemical Physics. 33: 22-27. DOI: 10.1063/1.1731083  0.374
1960 Parks JM, Parr RG. Theory of Electronic Excitation and Reorganization in the Formaldehyde Molecule Journal of Chemical Physics. 32: 1657-1681. DOI: 10.1063/1.1731001  0.413
1958 Saturno AF, Parr RG. Improved Simple Analytical Wave Functions for Atoms Journal of Chemical Physics. 29: 490-493. DOI: 10.1063/1.1744529  0.367
1958 Snyder LC, Parr RG. Some Extraordinary Functions for Improving Calculations of Electronic Energies Journal of Chemical Physics. 28: 1250-1251. DOI: 10.1063/1.1744382  0.432
1958 Joy HW, Parr RG. A One‐Center Wave Function for the Hydrogen Molecule Journal of Chemical Physics. 28: 448-453. DOI: 10.1063/1.1744156  0.369
1958 Parks JM, Parr RG. Theory of Separated Electron Pairs Journal of Chemical Physics. 28: 335-345. DOI: 10.1063/1.1744119  0.427
1957 Parr RG. 1s Orbitals as Base Functions for Molecular Calculations Journal of Chemical Physics. 26: 428-428. DOI: 10.1063/1.1743320  0.376
1956 Lykos PG, Parr RG. On the Pi‐Electron Approximation and Its Possible Refinement Journal of Chemical Physics. 24: 1166-1173. DOI: 10.1063/1.1742733  0.351
1956 Parr RG, Ellison FO, Lykos PG. Generalized Antisymmetrized Product Wave Functions for Atoms and Molecules Journal of Chemical Physics. 24: 1106-1106. DOI: 10.1063/1.1742692  0.325
1955 Parr RG, Pariser R. On the Electronic Structure and Electronic Spectra of Ethylene‐Like Molecules Journal of Chemical Physics. 23: 711-725. DOI: 10.1063/1.1742084  0.459
1953 Pariser R, Parr RG. A Semi‐Empirical Theory of the Electronic Spectra and Electronic Structure of Complex Unsaturated Molecules. II Journal of Chemical Physics. 21: 767-776. DOI: 10.1063/1.1699030  0.418
1953 Fumi FG, Parr RG. Electronic States of Diatomic Molecules: The Oxygen Molecule Journal of Chemical Physics. 21: 1864-1868. DOI: 10.1063/1.1698680  0.406
1952 Parr RG, Crawford BL. On Quantum-Mechanical Methods in Valence Theory. Proceedings of the National Academy of Sciences of the United States of America. 38: 547-53. PMID 16589144 DOI: 10.1073/Pnas.38.6.547  0.497
1952 Parr RG. A Method for Estimating Electronic Repulsion Integrals Over LCAO MO'S in Complex Unsaturated Molecules Journal of Chemical Physics. 20: 1499-1499. DOI: 10.1063/1.1700802  0.321
1951 Parr RG. On LCAO Molecular Orbital Schemes and Theoretical Resonance Energies Journal of Chemical Physics. 19: 799-800. DOI: 10.1063/1.1748374  0.307
1951 Parr RG, Taylor GR. LCAOSelf‐Consistent Field Calculation of the Twisting Frequency and π‐Electron Energy Levels of Allene The Journal of Chemical Physics. 19: 497-501. DOI: 10.1063/1.1748254  0.413
1951 Mulliken RS, Parr RG. LCAO molecular orbital computation of resonance energies of benzene and butadiene, with general analysis of theoretical versus thermochemical resonance energies The Journal of Chemical Physics. 19: 1271-1278. DOI: 10.1063/1.1748011  0.58
1951 Rüdenberg K, Parr RG. A Mobile Electron Model for Aromatic Molecules The Journal of Chemical Physics. 19: 1268-1270. DOI: 10.1063/1.1748010  0.372
1950 PARR RG, CRAWFORD BL. A physical theory of burning of double-base rocket propellants. I. The Journal of Physical and Colloid Chemistry. 54: 929-54. PMID 15422548 DOI: 10.1021/J150480A021  0.545
1950 Parr RG, Craig DP, Ross IG. Molecular Orbital Calculations of the Lower Excited Electronic Levels of Benzene, Configuration Interaction Included Journal of Chemical Physics. 18: 1561-1563. DOI: 10.1063/1.1747540  0.377
1950 Parr RG, Mulliken RS. LCAO Self‐Consistent Field Calculation of the π‐Electron Energy Levels of cis‐ and trans−1,3‐Butadiene Journal of Chemical Physics. 18: 1338-1346. DOI: 10.1063/1.1747474  0.592
1949 Sun CE, Parr RG, Crawford BL. On the Detection and Determination of Redundant Vibrational Coordinates Journal of Chemical Physics. 17: 840-840. DOI: 10.1063/1.1747412  0.519
1949 Crawford BL, Parr RG. Molecular orbital calculations of vibrational force constants. II. The ring-twisting constants of benzene The Journal of Chemical Physics. 17: 726-733. DOI: 10.1063/1.1747376  0.587
1948 Parr RG, Crawford BL. Molecular orbital calculations of vibrational force constants. I. Ethylene The Journal of Chemical Physics. 16: 526-532. DOI: 10.1063/1.1746930  0.599
1948 Crawford BL, Parr RG. Simple expressions for the heat capacities of gases The Journal of Chemical Physics. 16: 233-236. DOI: 10.1063/1.1746847  0.527
1948 Parr RG, Crawford BL. On certain integrals useful in molecular orbital calculations The Journal of Chemical Physics. 16: 1049-1056. DOI: 10.1063/1.1746722  0.588
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