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QUANTUM MECHANICAL CALCULATIONS OF MOLECULAR PROPERTIES AND MULLIKEN'S INFLUENCE IN THEIR DEVELOPMENTSCLEMENTI E.1980; J. PHYS. CHEM.; ISSN 0022-3654; USA; DA. 1980; VOL. 84; NO 17; PP. 2122-2134; BIBL. 56 REF.Article

REACTION IN CATALYTIC SYSTEMS INCLUDING ENZYMATIC REACTIONSCLEMENTI E.1979; CHIMIA; CHE; DA. 1979; VOL. 33; NO 1; PP. 22Article

COMPUTATION OF LARGE MOLECULES WITH THE HARTREE-FOCK MODELCLEMENTI E.1972; PROC. NATION. ACAD. SCI. U.S.A.; U.S.A.; DA. 1972; VOL. 69; NO 10; PP. 2942-2944; BIBL. 11 REF.Serial Issue

COMPUTATIONAL ASPECTS FOR LARGE CHEMICAL SYSTEMSCLEMENTI E.1980; LECTURE NOTES CHEM.; DEU; DA. 1980; NO 19; 184 P.; BIBL. 205 REF.Serial Issue

A THEORETICAL STUDY ON THE WATER STRUCTURE FOR NUCLEIC ACIDS BASES AND BASE PAIRS IN SOLUTION AT T=300 KCLEMENTI E; CORONGIU G.1980; J. CHEM. PHYS.; ISSN 0021-9606; USA; DA. 1980; VOL. 72; NO 7; PP. 3979-3992; BIBL. 46 REF.Article

INTRAMOLECULAR AND INTERMOLECULAR INTERACTIONS FOR DERIVING CHEMICAL FORMULAE AND FOR SIMULATE COMPLEX CHEMICAL SYSTEMSCORONGIU G; CLEMENTI E.1978; GAZZ. CHIM. ITAL.; ITA; DA. 1978; VOL. 108; NO 5-6; PP. 273-306; ABS. ITA; BIBL. 54 REF.Article

MONTE CARLO SIMULATION OF THE INTERACTION BETWEEN SOLVENT WATER AND BIOMOLECULES: GLYCINE AND THE CORRESPONDING ZWITTERIONROMANO S; CLEMENTI E.1978; GAZZ. CHIM. ITAL.; ITA; DA. 1978; VOL. 108; NO 5-6; PP. 319-328; ABS. ITA; BIBL. 8 REF.Article

STUDY OF THE STRUCTURE OF MOLECULAR COMPLEXES. XVI: DOUBLY CHARGE CATIONS INTERACTING WITH WATERCORONGIU G; CLEMENTI E.1978; J. CHEM. PHYS.; USA; DA. 1978; VOL. 69; NO 11; PP. 4885-4887; BIBL. 10 REF.Article

CALCULATION OF THE SECOND VIRIAL COEFFICIENTS FOR WATER USING A RECENT "AB INITIO" POTENTIAL.LIE GC; CLEMENTI E.1976; J. CHEM. PHYS.; U.S.A.; DA. 1976; VOL. 64; NO 12; PP. 5308-5309; BIBL. 10 REF.Article

STUDY OF THE ELECTRONIC STRUCTURE OF MOLECULES. XXI. CORRELATION ENERGY CORRECTIONS AS A FUNCTIONAL OF THE HARTREE-FOCK DENSITY AND ITS APPLICATION TO THE HYDRIDES OF THE SECOND ROW ATOMS.LIE GC; CLEMENTI E.1974; J. CHEM. PHYS.; U.S.A.; DA. 1974; VOL. 60; NO 4; PP. 1275-1287; BIBL. 32 REF.Article

Ab initio computational chemistryCLEMENTI, E.Journal of physical chemistry (1952). 1985, Vol 89, Num 21, pp 4426-4436, issn 0022-3654Article

MONTE CARLO SIMULATION OF WATER SOLVANT WITH BIOMOLECULES. GLYCINE AND THE CORRESPONDING ZWITTERIONROMANO S; CLEMENTI E.1978; INTERNATION. J. QUANTUM CHEM.; USA; DA. 1978; VOL. 14; NO 6; PP. 839-850; BIBL. 13 REF.Article

STUDY OF THE ELECTRONIC STRUCTURE OF MOLECULES XXII. ADDITIONAL AB INITIO COMPUTATIONS FOR THE BARRIER TO INTERNAL ROTATION IN POLYNUCLEOTIDE CHAINS.LIE GC; CLEMENTI E.1974; J. CHEM. PHYS.; U.S.A.; DA. 1974; VOL. 60; NO 8; PP. 3005-3010; BIBL. 5 REF.Article

STUDY OF THE STRUCTURE OF MOLECULAR COMPLEXES. I. ENERGY SURFACE OF A WATER MOLECULE IN THE FIELD OF A LITHIUM POSITIVE IONCLEMENTI E; POPKIE H.1972; J. CHEM. PHYS.; U.S.A.; DA. 1972; VOL. 57; NO 3; PP. 1077-1094; BIBL. DISSEM.Serial Issue

METHANE IN AQUEOUS SOLUTION AT 300 KBOLIS G; CLEMENTI E.1981; CHEM. PHYS. LETT.; ISSN 0009-2614; NLD; DA. 1981; VOL. 82; NO 1; PP. 147-152; BIBL. 21 REF.Article

ISO-ENERGY CONTOUR MAPS FOR THE INTERACTION OF WATER WITH DNA DOUBLE HELIX IN THE B CONFORMATIONCLEMENTI E; CORONGIU G.1979; CHEM. PHYS. LETTERS; NLD; DA. 1979; VOL. 60; NO 2; PP. 175-178; BIBL. 16 REF.Article

INTERACTION OF WATER WITH DIETHYLPHOSPHATE IONCORONGIU G; CLEMENTI E.1978; GAZZ. CHIM. ITAL.; ITA; DA. 1978; VOL. 108; NO 11-12; PP. 687-691; ABS. ITA; BIBL. 16 REF.Article

SIMPLE BASIS SETS FOR MOLECULAR WAVEFUNCTIONS CONTAINING ATOMS FROM Z=2 TO Z=54.ROETTI C; CLEMENTI E.1974; J. CHEM. PHYS.; U.S.A.; DA. 1974; VOL. 60; NO 12; PP. 4725-4729; BIBL. 11 REF.Article

Thermodynamic quantities from quantum and classical mechanicsCLEMENTI, E.Pure and applied chemistry. 1991, Vol 63, Num 10, pp 1327-1340, issn 0033-4545Conference Paper

SIMULATIONS OF THE SOLVENT STRUCTURE FOR MACROMOLECULES. III: DETERMINATION OF THE NA+ COUNTER ION STRUCTURECLEMENTI E; CORONGIU G.1982; BIOPOLYMER; ISSN 0006-3525; USA; DA. 1982; VOL. 21; NO 4; PP. 763-777; BIBL. 12 REF.Article

SIMULATIONS OF THE SOLVENT STRUCTURE FOR MACROMOLECULES. I: SOLVATION OF B-DNA DOUBLE HELIX AT T=300 KCORONGIU G; CLEMENTI E.1981; BIOPOLYMERS; ISSN 0006-3525; USA; DA. 1981; VOL. 20; NO 3; PP. 551-571; BIBL. 30 REF.Article

INTERACTION OF WATER WITH DNA SINGLE AND DOUBLE HELIX IN THE A AND B CONFORMATIONSCLEMENTI E; CORONGIU G.1979; GAZZ. CHIM. ITAL.; ITA; DA. 1979; VOL. 109; NO 3-4; PP. 201-205; ABS. ITA; BIBL. 13 REF.Article

ANALYTICAL POTENTIALS FROM "AB INITIO" COMPUTATIONS FOR THE INTERACTION BETWEEN BIOMOLECULES. III. RELIABILITY AND TRANSFERABILITY OF THE PAIR POTENTIALS.BOLIS G; CLEMENTI E.1977; J. AMER. CHEM. SOC.; U.S.A.; DA. 1977; VOL. 99; NO 17; PP. 5550-5557; BIBL. 12 REF.Article

ELECTRONIC STRUCTURE OF TTF-TCNQ COMPLEX.CAVALLONE F; CLEMENTI E.1975; J. CHEM. PHYS.; U.S.A.; DA. 1975; VOL. 63; NO 10; PP. 4304-4307; BIBL. 14 REF.Article

STUDY OF THE STRUCTURE OF MOLECULAR COMPLEXES. XII. STRUCTURE OF LIQUID WATER OBTAINED BY MONTE CARLO SIMULATION WITH THE HARTREE-FOCK POTENTIAL CORRECTED BY INCLUSION OF DISPERSION FORCES.LIE GC; CLEMENTI E.1975; J. CHEM. PHYS.; U.S.A.; DA. 1975; VOL. 62; NO 6; PP. 2195-2199; BIBL. 10 REF.Article

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