AAAAAA

   
Results: 1-25 | 26-40 |
Results: 26-40/40
APPRAISAL OF CHEMICAL-BOND MAKING, BOND BREAKING, AND ELECTRON-TRANSFER IN SOLUTION IN THE LIGHT OF THE PRINCIPLE OF MAXIMUM HARDNESS
Authors: CHATTARAJ PK CEDILLO A PARR RG ARNETT EM
Citation: Pk. Chattaraj et al., APPRAISAL OF CHEMICAL-BOND MAKING, BOND BREAKING, AND ELECTRON-TRANSFER IN SOLUTION IN THE LIGHT OF THE PRINCIPLE OF MAXIMUM HARDNESS, Journal of organic chemistry, 60(15), 1995, pp. 4707-4714
FUKUI FUNCTION FROM A GRADIENT EXPANSION FORMULA, AND ESTIMATE OF HARDNESS AND COVALENT RADIUS FOR AN ATOM
Authors: CHATTARAJ PK CEDILLO A PARR RG
Citation: Pk. Chattaraj et al., FUKUI FUNCTION FROM A GRADIENT EXPANSION FORMULA, AND ESTIMATE OF HARDNESS AND COVALENT RADIUS FOR AN ATOM, The Journal of chemical physics, 103(24), 1995, pp. 10621-10626
REACTIVITY INDEXES AND FLUCTUATION FORMULAS IN DENSITY-FUNCTIONAL THEORY - ISOMORPHIC ENSEMBLES AND A NEW MEASURE OF LOCAL HARDNESS
Authors: BAEKELANDT BG CEDILLO A PARR RG
Citation: Bg. Baekelandt et al., REACTIVITY INDEXES AND FLUCTUATION FORMULAS IN DENSITY-FUNCTIONAL THEORY - ISOMORPHIC ENSEMBLES AND A NEW MEASURE OF LOCAL HARDNESS, The Journal of chemical physics, 103(19), 1995, pp. 8548-8556
VARIATIONAL METHOD FOR DETERMINING THE FUKUI FUNCTION AND CHEMICAL HARDNESS OF AN ELECTRONIC SYSTEM
Authors: CHATTARAJ PK CEDILLO A PARR RG
Citation: Pk. Chattaraj et al., VARIATIONAL METHOD FOR DETERMINING THE FUKUI FUNCTION AND CHEMICAL HARDNESS OF AN ELECTRONIC SYSTEM, The Journal of chemical physics, 103(17), 1995, pp. 7645-7646
THE MAXIMUM HARDNESS PRINCIPLE IN THE GYFTOPOULOS-HATSOPOULOS 3-LEVELMODEL FOR AN ATOMIC OR MOLECULAR-SPECIES AND ITS POSITIVE AND NEGATIVE-IONS
Authors: CHATTARAJ PK LIU GH PARR RG
Citation: Pk. Chattaraj et al., THE MAXIMUM HARDNESS PRINCIPLE IN THE GYFTOPOULOS-HATSOPOULOS 3-LEVELMODEL FOR AN ATOMIC OR MOLECULAR-SPECIES AND ITS POSITIVE AND NEGATIVE-IONS, Chemical physics letters, 237(1-2), 1995, pp. 171-176
ON ATOMIC AND ORBITAL ELECTRONEGATIVITIES AND HARDNESSES
Authors: LIU GH PARR RG
Citation: Gh. Liu et Rg. Parr, ON ATOMIC AND ORBITAL ELECTRONEGATIVITIES AND HARDNESSES, Journal of the American Chemical Society, 117(11), 1995, pp. 3179-3188
FROM ELECTRON-DENSITIES TO KOHN-SHAM KINETIC ENERGIES, ORBITAL ENERGIES, EXCHANGE-CORRELATION POTENTIALS, AND EXCHANGE-CORRELATION ENERGIES
Authors: ZHAO QS MORRISON RC PARR RG
Citation: Qs. Zhao et al., FROM ELECTRON-DENSITIES TO KOHN-SHAM KINETIC ENERGIES, ORBITAL ENERGIES, EXCHANGE-CORRELATION POTENTIALS, AND EXCHANGE-CORRELATION ENERGIES, Physical review. A, 50(3), 1994, pp. 2138-2142
LOCAL EXCHANGE-CORRELATION FUNCTIONAL - NUMERICAL TEST FOR ATOMS AND IONS - COMMENT
Authors: ZHAO QS PARR RG
Citation: Qs. Zhao et Rg. Parr, LOCAL EXCHANGE-CORRELATION FUNCTIONAL - NUMERICAL TEST FOR ATOMS AND IONS - COMMENT, Physical review. A, 49(6), 1994, pp. 5156-5156
ASPECTS OF DENSITY-FUNCTIONAL THEORY
Authors: PARR RG
Citation: Rg. Parr, ASPECTS OF DENSITY-FUNCTIONAL THEORY, Philosophical magazine. B. Physics of condensed matter. Structural, electronic, optical and magnetic properties, 69(5), 1994, pp. 737-743
DENSITY-FUNCTIONAL THEORY AS THERMODYNAMICS
Authors: NAGY A PARR RG
Citation: A. Nagy et Rg. Parr, DENSITY-FUNCTIONAL THEORY AS THERMODYNAMICS, Proceedings of the Indian Academy of Sciences. Chemical sciences, 106(2), 1994, pp. 217-227
INTRAINDUSTRY TRADE AND THE PROSPECT OF TRADE LIBERALIZATION IN SOUTH-AFRICA
Authors: PARR RG
Citation: Rg. Parr, INTRAINDUSTRY TRADE AND THE PROSPECT OF TRADE LIBERALIZATION IN SOUTH-AFRICA, South African Journal of Economics, 62(4), 1994, pp. 393-405
COMPANIONS IN THE SEARCH
Authors: PARR RG
Citation: Rg. Parr, COMPANIONS IN THE SEARCH, International journal of quantum chemistry, 49(5), 1994, pp. 739-770
THE QUESTION OF THE COMPLETENESS OF THE NATURAL ORBITALS WITH NONZEROOCCUPATION NUMBERS FOR ATOMS AND MOLECULES
Authors: MORRISON RC ZHOU ZX PARR RG
Citation: Rc. Morrison et al., THE QUESTION OF THE COMPLETENESS OF THE NATURAL ORBITALS WITH NONZEROOCCUPATION NUMBERS FOR ATOMS AND MOLECULES, Theoretica Chimica Acta, 86(1-2), 1993, pp. 3-11
HARDNESS FUNCTIONAL
Authors: PARR RG GAZQUEZ JL
Citation: Rg. Parr et Jl. Gazquez, HARDNESS FUNCTIONAL, Journal of physical chemistry, 97(16), 1993, pp. 3939-3940
ABSOLUTE HARDNESS - UNIFYING CONCEPT FOR IDENTIFYING SHELLS AND SUBSHELLS IN NUCLEI, ATOMS, MOLECULES, AND METALLIC CLUSTERS
Authors: PARR RG ZHOU ZX
Citation: Rg. Parr et Zx. Zhou, ABSOLUTE HARDNESS - UNIFYING CONCEPT FOR IDENTIFYING SHELLS AND SUBSHELLS IN NUCLEI, ATOMS, MOLECULES, AND METALLIC CLUSTERS, Accounts of chemical research, 26(5), 1993, pp. 256-258
Risultati: 1-25 | 26-40 |