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Results: 1-16 |
Results: 16
INTERACTION OF EXPLICIT SOLVENT WITH HYDROPHOBIC PHILIC/CHARGED RESIDUES OF A PROTEIN - RESIDUE CHARACTER VS. CONFORMATIONAL CONTEXT/
Authors: MARTORANA V CORONGIU G PALMA MU
Citation: V. Martorana et al., INTERACTION OF EXPLICIT SOLVENT WITH HYDROPHOBIC PHILIC/CHARGED RESIDUES OF A PROTEIN - RESIDUE CHARACTER VS. CONFORMATIONAL CONTEXT/, Proteins, 32(2), 1998, pp. 129-135
MOLECULAR CORRELATION-ENERGY WITH THE HF-CC METHOD
Authors: CLEMENTI E CORONGIU G
Citation: E. Clementi et G. Corongiu, MOLECULAR CORRELATION-ENERGY WITH THE HF-CC METHOD, Chemical physics letters, 282(5-6), 1998, pp. 335-346
NOTE ON THE ATOMIC CORRELATION-ENERGY
Authors: CLEMENTI E CORONGIU G
Citation: E. Clementi et G. Corongiu, NOTE ON THE ATOMIC CORRELATION-ENERGY, International journal of quantum chemistry, 62(6), 1997, pp. 571-591
SMALL CLUSTERS OF WATER-MOLECULES USING DENSITY-FUNCTIONAL THEORY
Authors: ESTRIN DA PAGLIERI L CORONGIU G CLEMENTI E
Citation: Da. Estrin et al., SMALL CLUSTERS OF WATER-MOLECULES USING DENSITY-FUNCTIONAL THEORY, Journal of physical chemistry, 100(21), 1996, pp. 8701-8711
DENSITY DISTRIBUTIONS IN THE WATER SHELL OF MYOGLOBIN
Authors: SCHMIDT M PARAK F CORONGIU G
Citation: M. Schmidt et al., DENSITY DISTRIBUTIONS IN THE WATER SHELL OF MYOGLOBIN, International journal of quantum chemistry, 59(4), 1996, pp. 263-269
REVISITING THE POTENTIAL-ENERGY SURFACE FOR [H3N-CENTER-DOT-CENTER-DOT-CENTER-DOT-HCL] - AN AB-INITIO AND DENSITY-FUNCTIONAL THEORY INVESTIGATION
Authors: CORONGIU G ESTRIN D MURGIA G PAGLIERI L PISANI L VALLI GS WATTS JD CLEMENTI E
Citation: G. Corongiu et al., REVISITING THE POTENTIAL-ENERGY SURFACE FOR [H3N-CENTER-DOT-CENTER-DOT-CENTER-DOT-HCL] - AN AB-INITIO AND DENSITY-FUNCTIONAL THEORY INVESTIGATION, International journal of quantum chemistry, 59(2), 1996, pp. 119-134
FROM ATOMS TO LARGE CHEMICAL-SYSTEMS WITH COMPUTATIONAL CHEMISTRY - SYNTHESIS ON THEORETICAL METHODS AND COMPUTATIONAL TECHNIQUES
Authors: CLEMENTI E CORONGIU G
Citation: E. Clementi et G. Corongiu, FROM ATOMS TO LARGE CHEMICAL-SYSTEMS WITH COMPUTATIONAL CHEMISTRY - SYNTHESIS ON THEORETICAL METHODS AND COMPUTATIONAL TECHNIQUES, Revue de l'Institut francais du petrole, 51(1), 1996, pp. 19-35
THEORETICAL-STUDY AND EXPERIMENTAL-STUDY OF MEDIUM EFFECTS ON THE STRUCTURE AND SPECTROSCOPY OF THE [FE(CN)(5)NO](2-) ION
Authors: ESTRIN DA BARALDO LM SLEP LD BARJA BC OLABE JA PAGLIERI L CORONGIU G
Citation: Da. Estrin et al., THEORETICAL-STUDY AND EXPERIMENTAL-STUDY OF MEDIUM EFFECTS ON THE STRUCTURE AND SPECTROSCOPY OF THE [FE(CN)(5)NO](2-) ION, Inorganic chemistry, 35(13), 1996, pp. 3897-3903
CORRELATED SOLVENT-INDUCED FORCES ON A PROTEIN AT SINGLE RESIDUE RESOLUTION - RELATION TO CONFORMATION, STABILITY, DYNAMICS AND FUNCTION
Authors: MARTORANA V CORONGIU G PALMA MU
Citation: V. Martorana et al., CORRELATED SOLVENT-INDUCED FORCES ON A PROTEIN AT SINGLE RESIDUE RESOLUTION - RELATION TO CONFORMATION, STABILITY, DYNAMICS AND FUNCTION, Chemical physics letters, 254(5-6), 1996, pp. 292-301
THEORETICAL-STUDIES OF H+(H2O)(5)
Authors: CORONGIU G KELTERBAUM R KOCHANSKI E
Citation: G. Corongiu et al., THEORETICAL-STUDIES OF H+(H2O)(5), Journal of physical chemistry, 99(20), 1995, pp. 8038-8044
SOLVENT EFFECTS IN DENSITY-FUNCTIONAL CALCULATIONS OF URACIL AND CYTOSINE TAUTOMERISM
Authors: PAGLIERI G CORONGIU G ESTRIN DA
Citation: G. Paglieri et al., SOLVENT EFFECTS IN DENSITY-FUNCTIONAL CALCULATIONS OF URACIL AND CYTOSINE TAUTOMERISM, International journal of quantum chemistry, 56(5), 1995, pp. 615-625
A DENSITY-FUNCTIONAL STUDY OF TAUTOMERISM OF URACIL AND CYTOSINE
Authors: ESTRIN DA PAGLIERI L CORONGIU G
Citation: Da. Estrin et al., A DENSITY-FUNCTIONAL STUDY OF TAUTOMERISM OF URACIL AND CYTOSINE, Journal of physical chemistry, 98(22), 1994, pp. 5653-5660
TECHNIQUES FOR THE COMPRESSION OF SEQUENCES OF INTEGER NUMBERS AND REAL NUMBERS WITH FIXED ABSOLUTE PRECISION
Authors: STRADELLA OG CORONGIU G CLEMENTI E
Citation: Og. Stradella et al., TECHNIQUES FOR THE COMPRESSION OF SEQUENCES OF INTEGER NUMBERS AND REAL NUMBERS WITH FIXED ABSOLUTE PRECISION, Journal of computational chemistry, 14(6), 1993, pp. 673-679
RAMAN AND INFRARED-SPECTRA OF HEXAGONAL ICE BETWEEN 0 AND 400 CM-1 - A MOLECULAR-DYNAMICS SIMULATION
Authors: SCIORTINO F CORONGIU G
Citation: F. Sciortino et G. Corongiu, RAMAN AND INFRARED-SPECTRA OF HEXAGONAL ICE BETWEEN 0 AND 400 CM-1 - A MOLECULAR-DYNAMICS SIMULATION, Molecular physics, 79(3), 1993, pp. 547-558
LIQUID AND SOLID-PHASES OF WATER - AN EXTENSIVE MOLECULAR-DYNAMICS SIMULATION WITH AN AB-INITIO POLARIZABLE POTENTIAL
Authors: CLEMENTI E CORONGIU G SCIORTINO F
Citation: E. Clementi et al., LIQUID AND SOLID-PHASES OF WATER - AN EXTENSIVE MOLECULAR-DYNAMICS SIMULATION WITH AN AB-INITIO POLARIZABLE POTENTIAL, Journal of molecular structure, 296(3), 1993, pp. 205-213
LIQUID WATER - DENSITY-OF-STATES SPECTRA OF SOLVATED WATER-MOLECULES WITH SPECIFIC COORDINATION
Authors: CORONGIU G CLEMENTI E
Citation: G. Corongiu et E. Clementi, LIQUID WATER - DENSITY-OF-STATES SPECTRA OF SOLVATED WATER-MOLECULES WITH SPECIFIC COORDINATION, Chemical physics letters, 214(3-4), 1993, pp. 367-372
Risultati: 1-16 |