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Results: 1-25 | 26-40
Results: 1-25/40
VARIATIONAL CALCULATION OF THE GLOBAL HARDNESS AND THE FUKUI FUNCTIONVIA AN APPROXIMATION OF THE HARDNESS KERNEL
Authors: DEPROFT F GEERLINGS P LIU S PARR RG
Citation: F. Deproft et al., VARIATIONAL CALCULATION OF THE GLOBAL HARDNESS AND THE FUKUI FUNCTIONVIA AN APPROXIMATION OF THE HARDNESS KERNEL, Polish Journal of Chemistry, 72(7), 1998, pp. 1737-1746
SIMPLIFIED MODELS FOR HARDNESS KERNEL AND CALCULATIONS OF GLOBAL HARDNESS
Authors: LIU SB DEPROFT F PARR RG
Citation: Sb. Liu et al., SIMPLIFIED MODELS FOR HARDNESS KERNEL AND CALCULATIONS OF GLOBAL HARDNESS, The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 101(37), 1997, pp. 6991-6997
KOHN-SHAM METHOD AS A FREE-ENERGY MINIMIZATION AT INFINITE TEMPERATURE
Authors: PARR RG WANG YA
Citation: Rg. Parr et Ya. Wang, KOHN-SHAM METHOD AS A FREE-ENERGY MINIMIZATION AT INFINITE TEMPERATURE, Physical review. A, 55(4), 1997, pp. 3226-3228
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
Authors: LIU SB PARR RG
Citation: Sb. Liu et Rg. Parr, 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, 55(3), 1997, pp. 1792-1798
CHEMICAL-POTENTIAL, HARDNESS, HARDNESS AND SOFTNESS KERNEL AND LOCAL HARDNESS IN THE ISOMORPHIC ENSEMBLE OF DENSITY-FUNCTIONAL THEORY
Authors: DEPROFT F LIU SB PARR RG
Citation: F. Deproft et al., CHEMICAL-POTENTIAL, HARDNESS, HARDNESS AND SOFTNESS KERNEL AND LOCAL HARDNESS IN THE ISOMORPHIC ENSEMBLE OF DENSITY-FUNCTIONAL THEORY, The Journal of chemical physics, 107(8), 1997, pp. 3000-3006
2ND-ORDER DENSITY-FUNCTIONAL DESCRIPTION OF MOLECULES AND CHEMICAL-CHANGES
Authors: LIU SB PARR RG
Citation: Sb. Liu et Rg. Parr, 2ND-ORDER DENSITY-FUNCTIONAL DESCRIPTION OF MOLECULES AND CHEMICAL-CHANGES, The Journal of chemical physics, 106(13), 1997, pp. 5578-5586
CONSEQUENCES FOR FINITE ELECTRONIC SYSTEMS OF HOMOGENEITY PROPERTIES OF DENSITY-FUNCTIONAL ENERGY COMPONENTS
Authors: PARR RG LIU SB
Citation: Rg. Parr et Sb. Liu, CONSEQUENCES FOR FINITE ELECTRONIC SYSTEMS OF HOMOGENEITY PROPERTIES OF DENSITY-FUNCTIONAL ENERGY COMPONENTS, Chemical physics letters, 280(3-4), 1997, pp. 159-166
ADDITIONAL FUNCTIONAL RELATIONS IN THE DENSITY-FUNCTIONAL THEORY OF FINITE INTERACTING ELECTRONIC SYSTEMS
Authors: LIU SB PARR RG
Citation: Sb. Liu et Rg. Parr, ADDITIONAL FUNCTIONAL RELATIONS IN THE DENSITY-FUNCTIONAL THEORY OF FINITE INTERACTING ELECTRONIC SYSTEMS, Chemical physics letters, 278(4-6), 1997, pp. 341-344
SOME FUNCTIONAL RELATIONS IN THE DENSITY-FUNCTIONAL THEORY OF FINITE INTERACTING ELECTRONIC SYSTEMS
Authors: PARR RG LIU SB
Citation: Rg. Parr et Sb. Liu, SOME FUNCTIONAL RELATIONS IN THE DENSITY-FUNCTIONAL THEORY OF FINITE INTERACTING ELECTRONIC SYSTEMS, Chemical physics letters, 276(1-2), 1997, pp. 164-166
LAURENT SERIES EXPANSIONS IN DENSITY-FUNCTIONAL THEORY
Authors: WANG YA LIU SB PARR RG
Citation: Ya. Wang et al., LAURENT SERIES EXPANSIONS IN DENSITY-FUNCTIONAL THEORY, Chemical physics letters, 267(1-2), 1997, pp. 14-22
EMPLOYING HOMOGENEITY PROPERTIES OF DENSITY FUNCTIONALS TO DETERMINE THE TOTAL ELECTRONIC-ENERGY
Authors: MORRISON RC PARR RG
Citation: Rc. Morrison et Rg. Parr, EMPLOYING HOMOGENEITY PROPERTIES OF DENSITY FUNCTIONALS TO DETERMINE THE TOTAL ELECTRONIC-ENERGY, Physical review. A, 53(5), 1996, pp. 2918-2920
LOCAL TEMPERATURE IN AN ELECTRONIC SYSTEM
Authors: NAGY A PARR RG LIU SB
Citation: A. Nagy et al., LOCAL TEMPERATURE IN AN ELECTRONIC SYSTEM, Physical review. A, 53(5), 1996, pp. 3117-3121
EXPANSIONS OF THE CORRELATION-ENERGY DENSITY-FUNCTIONAL E(C)[RHO] ANDITS KINETIC-ENERGY COMPONENT T-C[RHO] IN TERMS OF HOMOGENEOUS FUNCTIONALS
Authors: LIU SB PARR RG
Citation: Sb. Liu et Rg. Parr, EXPANSIONS OF THE CORRELATION-ENERGY DENSITY-FUNCTIONAL E(C)[RHO] ANDITS KINETIC-ENERGY COMPONENT T-C[RHO] IN TERMS OF HOMOGENEOUS FUNCTIONALS, Physical review. A, 53(4), 1996, pp. 2211-2219
SHOULD CSWE ALLOW SOCIAL-WORK PROGRAMS IN RELIGIOUS INSTITUTIONS AN EXEMPTION FROM THE ACCREDITATION NONDISCRIMINATION STANDARD RELATED TO SEXUAL ORIENTATION - YES
Authors: PARR RG
Citation: Rg. Parr, SHOULD CSWE ALLOW SOCIAL-WORK PROGRAMS IN RELIGIOUS INSTITUTIONS AN EXEMPTION FROM THE ACCREDITATION NONDISCRIMINATION STANDARD RELATED TO SEXUAL ORIENTATION - YES, Journal of social work education, 32(3), 1996, pp. 297-301
SHOULD CSWE ALLOW SOCIAL-WORK PROGRAMS IN RELIGIOUS INSTITUTIONS AN EXEMPTION FROM THE ACCREDITATION NONDISCRIMINATION STANDARD RELATED TO SEXUAL ORIENTATION - NO - REPLY
Authors: PARR RG
Citation: Rg. Parr, SHOULD CSWE ALLOW SOCIAL-WORK PROGRAMS IN RELIGIOUS INSTITUTIONS AN EXEMPTION FROM THE ACCREDITATION NONDISCRIMINATION STANDARD RELATED TO SEXUAL ORIENTATION - NO - REPLY, Journal of social work education, 32(3), 1996, pp. 311-313
CHEMICAL SOFTNESS IN MODEL ELECTRONIC SYSTEMS - DEPENDENCE ON TEMPERATURE AND CHEMICAL-POTENTIAL
Authors: CHATTARAJ PK CEDILLO A PARR RG
Citation: Pk. Chattaraj et al., CHEMICAL SOFTNESS IN MODEL ELECTRONIC SYSTEMS - DEPENDENCE ON TEMPERATURE AND CHEMICAL-POTENTIAL, Chemical physics, 204(2-3), 1996, pp. 429-437
DENSITY-FUNCTIONAL THEORY OF ELECTRONIC-STRUCTURE
Authors: KOHN W BECKE AD PARR RG
Citation: W. Kohn et al., DENSITY-FUNCTIONAL THEORY OF ELECTRONIC-STRUCTURE, Journal of physical chemistry, 100(31), 1996, pp. 12974-12980
HUCKEL-TYPE SEMIEMPIRICAL IMPLEMENTATION OF A VARIATIONAL METHOD FOR DETERMINING ELECTRONIC BAND-GAPS
Authors: CEDILLO A PARR RG
Citation: A. Cedillo et Rg. Parr, HUCKEL-TYPE SEMIEMPIRICAL IMPLEMENTATION OF A VARIATIONAL METHOD FOR DETERMINING ELECTRONIC BAND-GAPS, The Journal of chemical physics, 105(21), 1996, pp. 9557-9560
EXCHANGE-CORRELATION POTENTIAL AND EXCITED-STATE DENSITY-FUNCTIONAL THEORY
Authors: CHATTARAJ PK GHOSH SK LIU SB PARR RG
Citation: Pk. Chattaraj et al., EXCHANGE-CORRELATION POTENTIAL AND EXCITED-STATE DENSITY-FUNCTIONAL THEORY, International journal of quantum chemistry, 60(1), 1996, pp. 535-543
INFORMATION ENTROPY AS A MEASURE OF THE QUALITY OF AN APPROXIMATE ELECTRONIC WAVE-FUNCTION
Authors: NAGY A PARR RG
Citation: A. Nagy et Rg. Parr, INFORMATION ENTROPY AS A MEASURE OF THE QUALITY OF AN APPROXIMATE ELECTRONIC WAVE-FUNCTION, International journal of quantum chemistry, 58(4), 1996, pp. 323-327
CUSP RELATIONS FOR LOCAL STRONGLY DECAYING PROPERTIES IN ELECTRONIC SYSTEMS
Authors: LIU SB PARR RG NAGY A
Citation: Sb. Liu et al., CUSP RELATIONS FOR LOCAL STRONGLY DECAYING PROPERTIES IN ELECTRONIC SYSTEMS, Physical review. A, 52(4), 1995, pp. 2645-2651
SOME IDENTITIES IN DENSITY-FUNCTIONAL THEORY
Authors: PARR RG LIU SB KUGLER AA NAGY A
Citation: Rg. Parr et al., SOME IDENTITIES IN DENSITY-FUNCTIONAL THEORY, Physical review. A, 52(2), 1995, pp. 969-976
TOWARD UNDERSTANDING THE EXCHANGE-CORRELATION ENERGY AND TOTAL-ENERGYDENSITY FUNCTIONALS
Authors: PARR RG GHOSH SK
Citation: Rg. Parr et Sk. Ghosh, TOWARD UNDERSTANDING THE EXCHANGE-CORRELATION ENERGY AND TOTAL-ENERGYDENSITY FUNCTIONALS, Physical review. A, 51(5), 1995, pp. 3564-3570
DENSITY-FUNCTIONAL THEORY OF THE ELECTRONIC-STRUCTURE OF MOLECULES
Authors: PARR RG YANG WT
Citation: Rg. Parr et Wt. Yang, DENSITY-FUNCTIONAL THEORY OF THE ELECTRONIC-STRUCTURE OF MOLECULES, Annual review of physical chemistry, 46, 1995, pp. 701-728
REFEREES - REFUSE REQUESTS RAPIDLY
Authors: PARR RG
Citation: Rg. Parr, REFEREES - REFUSE REQUESTS RAPIDLY, Physics today, 48(4), 1995, pp. 116-116
Risultati: 1-25 | 26-40