STUDY OF CORRELATION HOLES. II: CI CALCULATIONS ON MODEL POLYATOMIC SYSTEMSCIMIRAGLIA R; RESTA R.1981; INT. J. QUANTUM CHEM.; ISSN 0020-7608; USA; DA. 1981; VOL. 19; NO 2; PP. 301-318; ABS. FRE/GER; BIBL. 38 REF.Article

ON THE A¹PI -X¹SIGMA ⁺ TRANSITION IN BH:LAMBDA -DOUBLING AND VIBRATIONAL STRUCTURE AB INITIO CALCULATIONSCIMIRAGLIA R; PERSICO M.1981; J. MOL. SPECTROSC.; ISSN 0022-2852; USA; DA. 1981; VOL. 87; NO 2; PP. 303-311; BIBL. 24 REF.Article

COMMENTS ON THE DIABATIC REPRESENTATIONCIMIRAGLIA R; PERSICO M.1979; MOLEC. PHYS.; GBR; DA. 1979; VOL. 38; NO 5; PP. 1707-1710; BIBL. 12 REF.Article

ROTO-ELECTRONIC AND SPIN-ORBIT COUPLINGS IN THE PREDISSOCIATION OF HNO: A THEORETICAL CALCULATIONCIMIRAGLIA R; PERSICO M; TOMASI J et al.1980; CHEM. PHYS. LETT.; ISSN 0009-2614; NLD; DA. 1980; VOL. 76; NO 1; PP. 169-171; BIBL. 13 REF.Article

ALTERNATIVE PATHS IN THE RING OPENING OF OXADIAZIRIDINE. THE DIIMIDE N-OXIDE VERSUS THE OXODIIMIDE REARRANGEMENT. AN AB INITIO STUDYCIMIRAGLIA R; PERSICO M; TOMASI J et al.1978; THEOR. CHIM. ACTA; DEU; DA. 1978; VOL. 49; NO 1; PP. 13-23; BIBL. 9 REF.Article

THE THEORETICAL STUDY OF PREDISSOCIATION IN DIATOMICS. THE CASE OF THE O₂ B' ³SIGMA _U^- STATECIMIRAGLIA R; PERSICO M; TOMASI J et al.1979; CHEM. PHYS.; NLD; DA. 1979; VOL. 42; NO 3; PP. 297-303; BIBL. 19 REF.Article

TORSIONAL BARRIERS AND THE ELECTRONIC SPECTRUM OF NITROSOMETHANECIMIRAGLIA R; PERSICO M; TOMASI J et al.1979; CHEM. PHYS. LETTERS; NLD; DA. 1979; VOL. 63; NO 2; PP. 352-354; BIBL. 14 REF.Article

AZOXY COMPOUNDS AND OXADIAZIRIDINES. AN AB INITIO STUDY OF THE RING CLOSURE REACTIONS AND OF THE CIS-TRANS ISOMERIZATIONS.CIMIRAGLIA R; PERSICO M; TOMASI J et al.1977; J. PHYS. CHEM.; U.S.A.; DA. 1977; VOL. 61; NO 19; PP. 1876-1882; BIBL. 37 REF.Article

THE EVALUATION OF NONADIABATIC MATRIX ELEMENTS. A COMPARISON OF DIFFERENT APPROXIMATIONS APPLIED TO LIH X-A¹SIGMA ⁺CIMIRAGLIA R; PERSICO M; TOMASI J et al.1980; CHEM. PHYS.; ISSN 0301-0104; NLD; DA. 1980; VOL. 53; NO 3; PP. 357-363; BIBL. 21 REF.Article

ON THE DIRECT CALCULATION OF THE TIME EVOLUTION OF EXCITED MOLECULAR STATES IN THE PRESENCE OF NONADIABATIC INTERACTIONSCIMIRAGLIA R; PERSICO M; TOMASI J et al.1978; CHEM. PHYS.; NLD; DA. 1978; VOL. 34; NO 1; PP. 103-112; BIBL. 22 REF.Article

THE CIS-TRANS THERMAL AND PHOTOCHEMICAL INTERCONVERSION MECHANISM IN THE DIIMIDE N-OXIDE. A COMPARISON OF THE RESULTS OBTAINABLE WITH DIFFERENT AB INITIO CALCULATION TECHNIQUES.CIMIRAGLIA R; PERSICO M; TOMASI J et al.1977; CHEM. PHYS.; NETHERL.; DA. 1977; VOL. 24; NO 2; PP. 251-261; BIBL. 23 REF.Article

A THEORETICAL DESCRIPTION OF THE TRANS-CIS CONVERSION IN THE LOWEST EXCITED STATES OF DIIMIDE. A COMPARISON OF DIFFERENT METHODS FOR THE CALCULATION OF EXCITED STATE WAVE FUNCTIONS.CIMIRAGLIA R; RIERA JM; TOMASI J et al.1977; THEOR. CHIM. ACTA; ALLEM.; DA. 1977; VOL. 46; NO 3; PP. 223-235; BIBL. 24 REF.Article

Recent advances in multireference second order perturbation CI: the CIPSI method revisitedCIMIRAGLIA, R; PERSICO, M.Journal of computational chemistry. 1987, Vol 8, Num 1, pp 39-47, issn 0192-8651Article

MULTIPOLE EXPANSIONS OF THE ELECTROSTATIC MOLECULAR POTENTIAL.BONACCORSI R; CIMIRAGLIA R; SCROCCO E et al.1974; THEOR. CHIM. ACTA; ALLEM.; DA. 1974; VOL. 32; NO 2; PP. 97-103; BIBL. 19 REF.Article

Revival of an old structure problem : trithiapentalene-real or time-averaged C_2v symmetry ?CIMIRAGLIA, R; HOFMANN, H.-J.Journal of the American Chemical Society. 1991, Vol 113, Num 17, pp 6449-6451, issn 0002-7863Article

Conformation dynamics of 1,2-dimethylenecyclohexane: a model for ring-A mobility in vitamins DHOFMANN, H.-J; CIMIRAGLIA, R.Journal of organic chemistry. 1990, Vol 55, Num 7, pp 2151-2155, issn 0022-3263, 5 p.Article

Simplified treatment of organic substituents in SCF-Cl calculations. The methyl groupCIMIRAGLIA, R; MAYNAU, D; PERSICO, M et al.The Journal of chemical physics. 1987, Vol 87, Num 3, pp 1653-1660, issn 0021-9606Article

Ab initio quasirelativistic calculations on angular momentum and magnetic couplings of molecular electronic statesZAITSEVSKII, A; FERBER, R; CIMIRAGLIA, R et al.Chemical physics letters. 2002, Vol 356, Num 3-4, pp 277-283, issn 0009-2614Article

Conformational structure of bipyridine radical cationsHOFMANN, H. J; CIMIRAGLIA, R; TOMASI, J et al.Journal of chemical research. Synopses (Print). 1987, Num 2, pp 48-49, issn 0308-2342Article

On the conformation of bipyridine dications and cation radicalsHOFMANN, H.-J; CIMIRAGLIA, R; TOMASI, J et al.Journal of molecular structure. 1986, Vol 139, Num 3-4, pp 213-219, issn 0022-2860Article

On the importance of quinone-quinonemethide tautomerism for dopamine actionHOFMANN, H.-J; CIMIRAGLIA, R; TOMASI, J et al.Pharmazie. 1986, Vol 41, Num 7, issn 0031-7144, 518Article

The determination of radial non-adiabatic coupling: HeNe²⁺ as a case studyBACCHUS MONTABONEL, M. C; CIMIRAGLIA, R; PERSICO, M et al.Journal of physics. B. Atomic and molecular physics. 1984, Vol 17, Num 10, pp 1931-1942, issn 0022-3700Article

On the use of a MO polarized basis for the analysis of the interaction energy in molecular interactions: application to amine complexesBONACCORSI, R; PALLA, P; CIMIRAGLIA, R et al.International journal of quantum chemistry. 1983, Vol 24, Num 3, pp 307-316, issn 0020-7608Article

Changes in electronically excited states and photochemistry of troponoids on complexation with acidsCAVAZZA, M; CIMIRAGLIA, R; PERSICO, M et al.Journal of photochemistry and photobiology. A, Chemistry. 1991, Vol 61, Num 3, pp 329-342, issn 1010-6030Article

Electron correlation and relative energetic characteristics of complex hybrides of light elements. I: BeryllohydridesCIMIRAGLIA, R; PERSICO, M; TOMASI, J et al.Journal of computational chemistry. 1984, Vol 5, Num 3, pp 263-271, issn 0192-8651Article