| A new force field for molecular mechanical simulation of nucleic acids and proteins SJ Weiner, PA Kollman, DA Case, UC Singh, C Ghio, G Alagona, ... Journal of the American Chemical Society 106 (3), 765-784, 1984 | 6446 | 1984 |
| P. Weiner (1984) S Weiner, P Kollman, D Case, U Singh, C Ghio, G Alagona, J Profeta J. Appl. Cryst 106, 765-784, 0 | 236 | |
| Theoretical calculations on 1, 2-ethanediol. Gauche-trans equilibrium in gas-phase and aqueous solution PI Nagy, WJ Dunn III, G Alagona, C Ghio Journal of the American Chemical Society 113 (18), 6719-6729, 1991 | 121 | 1991 |
| Quantum mechanical and molecular mechanical studies on a model for the dihydroxyacetone phosphate-glyceraldehyde phosphate isomerization catalyzed by triose phosphate isomerase … G Alagona, P Desmeules, C Ghio, PA Kollman Journal of the American Chemical Society 106 (12), 3623-3632, 1984 | 108 | 1984 |
| do enzymes stabilize transition states by electrostatic interactions or pKa balance: the case of triose phosphate isomerase (TIM)? G Alagona, C Ghio, PA Kollman Journal of the American Chemical Society 117 (39), 9855-9862, 1995 | 87 | 1995 |
| Monte Carlo simulation studies of the solvation of ions. 1. Acetate anion and methylammonium cation G Alagona, C Ghio, P Kollman Journal of the American Chemical Society 108 (2), 185-191, 1986 | 86 | 1986 |
| Theoretical calculations on 1, 2-ethanediol. 2. Equilibrium of the gauche conformers with and without an intramolecular hydrogen bond in aqueous solution PI Nagy, WJ Dunn III, G Alagona, C Ghio Journal of the American Chemical Society 114 (12), 4752-4758, 1992 | 82 | 1992 |
| Ab initio studies of free and monohydrated carboxylic acids in the gas phase PI Nagy, DA Smith, G Alagona, C Ghio The Journal of Physical Chemistry 98 (2), 486-493, 1994 | 77 | 1994 |
| Theoretical studies on the conformation of protonated dopamine in the gas phase and in aqueous solution PI Nagy, G Alagona, C Ghio Journal of the American Chemical Society 121 (20), 4804-4815, 1999 | 74 | 1999 |
| An appraisal of solvation effects on chemical functional groups: The amidic and the esteric linkages G Alagona, C Ghio, J Igual, J Tomasi Journal of Molecular Structure: THEOCHEM 204, 253-283, 1990 | 73 | 1990 |
| Theoretical conformational analysis for neurotransmitters in the gas phase and in aqueous solution. Norepinephrine PI Nagy, G Alagona, C Ghio, K Takács-Novák Journal of the American Chemical Society 125 (9), 2770-2785, 2003 | 71 | 2003 |
| The protonation of three-membered ring molecules Theab initio SCF versus the electrostatic picture of the proton approach C Ghio, J Tomasi Theoretica chimica acta 30, 151-158, 1973 | 71 | 1973 |
| Theoretical studies of the 2-and 4-hydroxybenzoic acid with competing hydrogen bonds in the gas phase and aqueous solution PI Nagy, WJ Dunn III, G Alagona, C Ghio The Journal of Physical Chemistry 97 (18), 4628-4642, 1993 | 70 | 1993 |
| Monte Carlo simulation studies of the solvation of ions. 2. Glycine zwitterion G Alagona, C Ghio, PA Kollman Journal of Molecular Structure: THEOCHEM 166, 385-392, 1988 | 69 | 1988 |
| Olefin insertion into the Rhodium− Hydrogen bond as the step determining the regioselectivity of Rhodium-Catalyzed hydroformylation of vinyl substrates: Comparison between … G Alagona, C Ghio, R Lazzaroni, R Settambolo Organometallics 20 (25), 5394-5404, 2001 | 68 | 2001 |
| Bifurcated vs. linear hydrogen bonds: dimethyl phosphate and formate anion interactions with water G Alagona, C Ghio, P Kollman Journal of the American Chemical Society 105 (16), 5226-5230, 1983 | 68 | 1983 |
| The catalytic effect of water on the keto–enol tautomerism. Pyruvate and acetylacetone: a computational challenge G Alagona, C Ghio, PI Nagy Physical Chemistry Chemical Physics 12 (35), 10173-10188, 2010 | 67 | 2010 |
| Plicatin B conformational landscape and affinity to copper (I and II) metal cations. A DFT study G Alagona, C Ghio Physical Chemistry Chemical Physics 11 (5), 776-790, 2009 | 63 | 2009 |
| Keto‐enol Tautomerism in Linear and Cyclic Β‐diketones: A DFT Study in Vacuo and in Solution G Alagona, C Ghio International Journal of Quantum Chemistry 108 (10), 1840-1855, 2008 | 61 | 2008 |
| The effect of “full” and “limited” counterpoise corrections with different basis sets on the energy and the equilibrium distance of hydrogen bonded dimers G Alagona, C Ghio, R Cammi, J Tomasi International journal of quantum chemistry 32 (2), 207-226, 1987 | 61 | 1987 |
Giuliano AlagonaResearch Director, IPCF-CNR, Pisa (Italy)Bestätigte E-Mail-Adresse bei ipcf.cnr.it
