共 50 条
- [41] Calculation of spin-densities within the context of density functional theory. The crucial role of the correlation functionalJOURNAL OF CHEMICAL PHYSICS, 2005, 123 (12):Filatov, MCremer, D
- [42] ABINITIO HARTREE-FOCK CALCULATIONS OF SPIN-DENSITIES ASSOCIATED WITH BOND ALTERNATING DEFECTS AND END EFFECTS IN TRANS-POLYACETYLENESOLID STATE COMMUNICATIONS, 1985, 54 (06) : 551 - 554WENDEL, HOTTO, PSEEL, MLADIK, J
- [43] RADICAL STABILIZING EFFECTS - A COMPARISON OF TRANSITION-STATE EFFECTS (RATES OF AZOALKANE DECOMPOSITIONS) WITH CALCULATED (ABINITIO) PI SPIN-DENSITIESTETRAHEDRON, 1980, 36 (12) : 1753 - 1756DUBE, MFTIMBERLAKE, JW
- [44] SPIN-DENSITIES AND STRUCTURE OF RADICAL FORMED IN IRRADIATED THIODIGLYCOLIC ACIDJOURNAL OF CHEMICAL PHYSICS, 1973, 59 (09): : 5211 - 5212WELLS, JWBUDZINSK.EE
- [45] TOPOLOGICAL ASPECTS OF ODD GRAPHS AND THEIR RELEVANCE TO RADICAL SPIN-DENSITIESJOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS II, 1975, 71 : 1343 - 1351HONEYBOURNE, CL
- [46] SPIN-DENSITY FUNCTIONAL THEORY .2. CHARGE AND SPIN-DENSITIESCOMPTES RENDUS DE L ACADEMIE DES SCIENCES SERIE II, 1993, 316 (08): : 1051 - 1054PAVLOV, RLDELCHEV, YIPAVLOVA, KAMARUANI, J
- [47] OPTICAL-PROPERTIES AND SPIN-DENSITIES OF SINX(-H) FILMSJOURNAL OF NON-CRYSTALLINE SOLIDS, 1987, 97-8 : 1047 - 1050PIGGINS, NDAVIS, EABAYLISS, SC
- [48] EPR FINE-STRUCTURE AND SPIN-DENSITIES IN TCNQ SALTSCHEMICAL PHYSICS LETTERS, 1978, 58 (04) : 596 - 600FLANDROIS, SBOISSONADE, J
- [49] THE ROHF EXTENSION OF THE STATISTICAL POPULATION ANALYSIS OF ELECTRON AND SPIN-DENSITIESJOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, 1993, 26 (05) : 827 - 833MEDRANO, JABOCHICCHIO, RCDAS, SG
- [50] CALCULATED SPIN-DENSITIES OF SOME TRANSITION-METAL COMPLEXESCHEMICA SCRIPTA, 1986, 26 (03): : 487 - 487JOHANSEN, HANDERSEN, NK