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Results: 1-8 |
Results: 8
SOLVATION EFFECTS ON REACTION PROFILES BY THE POLARIZABLE CONTINUUM MODEL COUPLED WITH THE GAUSSIAN DENSITY-FUNCTIONAL METHOD
Authors: MINEVA T RUSSO N SICILIA E
Citation: T. Mineva et al., SOLVATION EFFECTS ON REACTION PROFILES BY THE POLARIZABLE CONTINUUM MODEL COUPLED WITH THE GAUSSIAN DENSITY-FUNCTIONAL METHOD, Journal of computational chemistry, 19(3), 1998, pp. 290-299
DENSITY-FUNCTIONAL APPROACH TO HARDNESS EVALUATION AND ITS USE IN THESTUDY OF THE MAXIMUM HARDNESS PRINCIPLE
Authors: MINEVA T SICILIA E RUSSO N
Citation: T. Mineva et al., DENSITY-FUNCTIONAL APPROACH TO HARDNESS EVALUATION AND ITS USE IN THESTUDY OF THE MAXIMUM HARDNESS PRINCIPLE, Journal of the American Chemical Society, 120(35), 1998, pp. 9053-9058
DENSITY-FUNCTIONAL POTENTIAL-ENERGY HYPERSURFACE AND REACTIVITY INDEXES IN THE ISOMERIZATION OF X3H+ (X = O, S, SE, TE)
Authors: MINEVA T RUSSO N SICILIA E TOSCANO M
Citation: T. Mineva et al., DENSITY-FUNCTIONAL POTENTIAL-ENERGY HYPERSURFACE AND REACTIVITY INDEXES IN THE ISOMERIZATION OF X3H+ (X = O, S, SE, TE), Journal of the Chemical Society. Faraday transactions, 93(18), 1997, pp. 3309-3312
SOLVENT EFFECTS COMPUTED WITH THE GAUSSIAN DENSITY-FUNCTIONAL METHOD
Authors: MINEVA T RUSSO N
Citation: T. Mineva et N. Russo, SOLVENT EFFECTS COMPUTED WITH THE GAUSSIAN DENSITY-FUNCTIONAL METHOD, International journal of quantum chemistry, 61(4), 1997, pp. 665-671
DENSITY-FUNCTIONAL INVESTIGATION OF THE MOLECULAR GEOMETRIES, HARMONIC VIBRATIONAL FREQUENCIES, SINGLET-TRIPLET ENERGY SEPARATIONS, ADIABATIC IONIZATION-POTENTIALS, AND ELECTRON-AFFINITIES OF XY(2) (X=SI, GE, SN, Y=F, CL) SYSTEMS
Authors: SICILIA E TOSCANO M MINEVA T RUSSO N
Citation: E. Sicilia et al., DENSITY-FUNCTIONAL INVESTIGATION OF THE MOLECULAR GEOMETRIES, HARMONIC VIBRATIONAL FREQUENCIES, SINGLET-TRIPLET ENERGY SEPARATIONS, ADIABATIC IONIZATION-POTENTIALS, AND ELECTRON-AFFINITIES OF XY(2) (X=SI, GE, SN, Y=F, CL) SYSTEMS, International journal of quantum chemistry, 61(3), 1997, pp. 571-577
HYDROGEN-BONDED AND VAN-DER-WAALS COMPLEXES STUDIED BY A GAUSSIAN DENSITY-FUNCTIONAL METHOD - THE CASE OF (HF)(2), ARHCL AND AR2HCL SYSTEMS
Authors: MELE F MINEVA T RUSSO N TOSCANO M
Citation: F. Mele et al., HYDROGEN-BONDED AND VAN-DER-WAALS COMPLEXES STUDIED BY A GAUSSIAN DENSITY-FUNCTIONAL METHOD - THE CASE OF (HF)(2), ARHCL AND AR2HCL SYSTEMS, Theoretica Chimica Acta, 91(3-4), 1995, pp. 169-177
SELF-CONSISTENT REACTION FIELD-THEORY OF SOLVENT EFFECTS IN THE FRAMEWORK OF GAUSSIAN DENSITY-FUNCTIONAL METHOD
Authors: MINEVA T RUSSO N TOSCANO M
Citation: T. Mineva et al., SELF-CONSISTENT REACTION FIELD-THEORY OF SOLVENT EFFECTS IN THE FRAMEWORK OF GAUSSIAN DENSITY-FUNCTIONAL METHOD, International journal of quantum chemistry, 56(6), 1995, pp. 663-668
SPECTROSCOPIC CONSTANTS OF SIH2, GEH2, SNH2, AND THEIR CATIONS AND ANIONS FROM DENSITY-FUNCTIONAL COMPUTATIONS
Authors: MINEVA T RUSSO N SICILIA E TOSCANO M
Citation: T. Mineva et al., SPECTROSCOPIC CONSTANTS OF SIH2, GEH2, SNH2, AND THEIR CATIONS AND ANIONS FROM DENSITY-FUNCTIONAL COMPUTATIONS, International journal of quantum chemistry, 56(6), 1995, pp. 669-675
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