Ab initio Hartree-Fock extended basis set calculation of the electronic structure of crystalline lithium oxideDOVESI, R.Solid state communications. 1985, Vol 54, Num 2, pp 183-185, issn 0038-1098Article

EXACT-EXCHANGE HARTREE-FOCK CALCULATIONS FOR PERIODIC SYSTEMS. I: ILLUSTRATION OF THE METHODPISANI C; DOVESI R.1980; INT. J. QUANTUM CHEM.; ISSN 0020-7608; USA; DA. 1980; VOL. 17; NO 3; PP. 501-516; ABS. FRE/GER; BIBL. 39 REF.Article

On the role of symmetry in the ab initio Hartree-Fock linear-combination-of-atomic orbitals treatment of periodic systemsDOVESI, R.International journal of quantum chemistry. 1986, Vol 29, Num 6, pp 1755-1774, issn 0020-7608Article

Ab initio Hartree-Fock approach to the study of polymers: application to polyacetylenesDOVESI, R.International journal of quantum chemistry. 1984, Vol 26, Num 2, pp 197-212, issn 0020-7608Article

THE ROLE OF PARAMETERIZATION IN CNDO-CI METHOD.CERRUTI L; CUCCHIARA G; DOVESI R et al.1975; ATTI ACCAD. SCI. TORINO, CL. SCI. FIS. MAT. NAT.; ITAL.; DA. 1975; VOL. 109; NO 3-4; PP. 427-434; ABS. ITAL.; BIBL. 7 REF.Article

EXACT-EXCHANGE HARTREE-FOCK CALCULATIONS FOR PERIODIC SYSTEMS. II: RESULTS FOR GRAPHITE AND HEXAGONAL BORON NITRIDEDOVESI R; PISANI C; ROETTI C et al.1980; INT. J. QUANTUM CHEM.; ISSN 0020-7608; USA; DA. 1980; VOL. 17; NO 3; PP. 517-529; ABS. FRE/GER; BIBL. 26 REF.Article

MODERATELY-LARGE-EMBEDDED-CLUSTER APPROACH TO THE STUDY OF LOCAL DEFECTS IN SOLIDS. VACANCY AND SUBSTITUTIONAL IMPURITIES IN GRAPHITEPISANI C; DOVESI R; CAROSSO P et al.1979; PHYS. REV. B; ISSN 0163-1829; USA; DA. 1979; VOL. 20; NO 12; PP. 5345-5357; BIBL. 29 REF.Article

EXACT-EXCHANGE HARTREE-FOCK CALCULATIONS FOR PERIODIC SYSTEMS. V: GROUND-STATE PROPERTIES OF SILICONDOVESI R; CAUSA M; ANGONOA G et al.1981; PHYS. REV. B; ISSN 0163-1829; USA; DA. 1981; VOL. 24; NO 8; PP. 4177-4183; BIBL. 38 REF.Article

CONVERGENCE PROBLEMS IN CNDO/S-CI METHOD.CERRUTI L; CUCCHIARA G; DOVESI R et al.1975; ATTI ACCAD. SCI. TORINO, CL. SCI. FIS. MAT. NAT.; ITAL.; DA. 1975; VOL. 109; NO 3-4; PP. 393-403; ABS. ITAL.; BIBL. 8 REF.Article

SURFACE RELAXATION EFFECTS IN THE ADSORPTION OF NEON ON XENON CRYSTALSDOVESI R; PISANI C; RICCA F et al.1973; J. CHEM. SOC., FARADAY TRANS., 2; G.B.; DA. 1973; VOL. 69; NO 1; PP. 79-86; BIBL. 8 REF.Serial Issue

AB INITIO HF VERSUS SEMI-EMPIRICAL RESULTS OF CHEMISORPTION CALCULATIONS OF HYDROGEN ON GRAPHITEDOVESI R; PISANI C; ROETTI C et al.1981; CHEM. PHYS. LETT.; ISSN 0009-2614; NLD; DA. 1981; VOL. 81; NO 3; PP. 498-502; BIBL. 14 REF.Article

CALCULATIONS OF NICKEL BAND STRUCTURE AND ADSORPTION ON NICKEL THIN FILMS, USING AN EXTENSION OF THE CNDO FORMALISMDOVESI R; PISANI C; ROETTI C et al.1981; SURF. SCI.; ISSN 0039-6028; NLD; DA. 1981; VOL. 103; NO 2-3; PP. 482-495; BIBL. 29 REF.Article

ON THE CORE EXPANSION OF METALLIC BERYLLIUM = SUR LA DILATATION DE COEUR DU BERYLLIUM METALLIQUEDOVESI R; ANGONOA G; CAUSA M et al.1982; PHILOS. MAG., B; ISSN 0141-8637; GBR; DA. 1982; VOL. 45; NO 6; PP. 601-606; BIBL. 16 REF.Article

REGULAR CHEMISORPTION OF HYDROGEN ON GRAPHITE IN THE CRYSTALLINE ORBITAL NDO APPROXIMATION.DOVESI R; PISANI C; RICCA F et al.1976; J. CHEM. PHYS.; U.S.A.; DA. 1976; VOL. 65; NO 8; PP. 3075-3084; BIBL. 52 REF.Article

EXACT-EXCHANGE HARTREE-FOCK CALCULATIONS FOR PERIODIC SYSTEMS. DIRECTIONAL COMPTON PROFILES OF SILICON IN THE IMPULSE APPROXIMATIONANGONOA G; DOVESI R; PISANI C et al.1981; PHILOS. MAG., B; ISSN 0141-8637; GBR; DA. 1981; VOL. 44; NO 3; PP. 413-418; BIBL. 15 REF.Article

SINGLET-SINGLET ELECTRON TRANSITIONS IN ISOELECTRONIC MONOSUBSTITUTED BENZENES. A SEMI-EMPIRICAL STUDY BY A MODIFIED CNDO-CI METHOD.CUCCHIARA G; DOVESI R; RICCA F et al.1978; J. MOLEC. STRUCT.; NETHERL.; DA. 1978; VOL. 43; NO 1; PP. 61-74; BIBL. 1 P. 1/2Article

EXACT-EXCHANGE HARTREE-FOCK CALCULATIONS FOR PERIODIC SYSTEMS DIRECTIONAL COMPTON PROFILES OF ALUMINIUMCAUSA M; DOVESI R; PISANI C et al.1981; PHILOS. MAG., B; ISSN 0141-8637; GBR; DA. 1981; VOL. 44; NO 3; PP. 419-425; BIBL. 21 REF.Article

EXACT-EXCHANGE HARTREE-FOCK CALCULATIONS FOR PERIODIC SYSTEMS. III: GROUND-STATE PROPERTIES OF DIAMONDDOVESI R; PISANI C; RICCA F et al.1980; PHYS. REV. B; ISSN 0163-1829; USA; DA. 1980; VOL. 22; NO 12; PP. 5936-5944; BIBL. 42 REF.Article

CHEMISORPTION OF PERIODIC OVERLAYERS OF ATOMIC OXYGEN ON GRAPHITE.DOVESI R; PISANI C; RICCA F et al.1978; SURF. SCI.; NLD; DA. 1978; VOL. 75; NO 2; PP. 316-326; BIBL. 8 REF.Article

AB INITIO STUDY OF METALLIC BERYLLIUM = ETUDE AB INITIO DU BERYLLIUM METALLIQUEDOVESI R; PISANI C; RICCA F et al.1982; PHYSICAL REVIEW. B: CONDENSED MATTER; ISSN 0163-1829; USA; DA. 1982; VOL. 25; NO 6; PP. 3731-3739; BIBL. 48 REF.Article

REGULAR CHEMISORPTION OF HYDROGEN ON GRAPHITE IN THE CO-NDO APPROXIMATION. II.DOVESI R; PISANI C; RICCA F et al.1976; J. CHEM. PHYS.; U.S.A.; DA. 1976; VOL. 65; NO 10; PP. 4116-4120; BIBL. 11 REF.Article

Convergence propeties of the supercell approach in the study of local defects in solidsDOVESI, R; ORLANDO, R.Phase transitions (Print). 1994, Vol 52, Num 2-3, pp 151-167, issn 0141-1594Article

Problems and prospects in the ab initio treatment of pure and defective crystalsPISANI, C; DOVESI, R.Theoretica chimica acta. 1987, Vol 72, Num 4, pp 277-289, issn 0040-5744Article

EFFECTS OF SUBSTRATE RELAXATION IN REGULAR CHEMISORPTION. HYDROGEN ON GRAPHITE.DOVESI R; PISANI C; RICCA F et al.1976; CHEM. PHYS. LETTERS; NETHERL.; DA. 1976; VOL. 44; NO 1; PP. 104-107; BIBL. 7 REF.Article

LCAO SCF CRYSTALLINE ORBITAL METHOD IN THE CNDO APPROXIMATION.DOVESI R; PISANI C; RICCA F et al.1976; CHEM. PHYS. LETTERS; NETHERL.; DA. 1976; VOL. 39; NO 1; PP. 103-107; BIBL. 17 REF.Article