Angelo Gavezzotti

Angelo Gavezzotti's AcademicInfluence.com Rankings

Angelo Gavezzotti

Chemistry

#3398

World Rank

#4415

Historical Rank

Analytical Chemistry

#127

World Rank

#134

Historical Rank

chemistry Degrees

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Chemistry

Angelo Gavezzotti's Degrees

PhD Chemistry University of Milan

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Angelo Gavezzotti's Published Works

Number of citations in a given year to any of this author's works

Total number of citations to an author for the works they published in a given year. This highlights publication of the most important work(s) by the author

Published Works

Are Crystal Structures Predictable (1994) (653)
The calculation of molecular volumes and the use of volume analysis in the investigation of structured media and of solid-state organic reactivity (1983) (509)
Crystal structures of polynuclear aromatic hydrocarbons. Classification, rationalization and prediction from molecular structure (1989) (380)
Molecular recognition in organic crystals: directed intermolecular bonds or nonlocalized bonding? (2005) (344)
A test of crystal structure prediction of small organic molecules. (2000) (338)
Geometry of the Intermolecular X-H.cntdot..cntdot..cntdot.Y (X, Y = N, O) Hydrogen Bond and the Calibration of Empirical Hydrogen-Bond Potentials (1994) (310)
Calculation of Intermolecular Interaction Energies by Direct Numerical Integration over Electron Densities. 2. An Improved Polarization Model and the Evaluation of Dispersion and Repulsion Energies (2003) (296)
Crystal structure prediction of small organic molecules: a second blind test. (2002) (291)
Efficient computer modeling of organic materials. The atom–atom, Coulomb–London–Pauli (AA-CLP) model for intermolecular electrostatic-polarization, dispersion and repulsion energies (2011) (281)
From molecular to crystal structure; polynuclear aromatic hydrocarbons (1989) (248)
Calculation of Intermolecular Interaction Energies by Direct Numerical Integration over Electron Densities. I. Electrostatic and Polarization Energies in Molecular Crystals (2002) (248)
Polymorphic Forms of Organic Crystals at Room Conditions: Thermodynamic and Structural Implications (1995) (238)
How molecules stick together in organic crystals: weak intermolecular interactions. (2009) (237)
Non-conventional bonding between organic molecules. The ‘halogen bond’ in crystalline systems (2008) (198)
Generation of possible crystal structures from molecular structure for low-polarity organic compounds (1991) (152)
Intermolecular interaction energies in molecular crystals: comparison and agreement of localized Møller-Plesset 2, dispersion-corrected density functional, and classical empirical two-body calculations. (2011) (150)
Empirical intermolecular potentials for organic crystals: the `6‐exp' approximation revisited (1993) (148)
Calculation of lattice energies of organic crystals: the PIXEL integration method in comparison with more traditional methods (2005) (147)
Supramolecular Synthons: Validation and Ranking of Intermolecular Interaction Energies (2012) (146)
Attractions and Repulsions in Molecular Crystals: What Can Be Learned from the Crystal Structures of Condensed Ring Aromatic Hydrocarbons? (1999) (142)
Crystal chemistry in organic solids (1982) (122)
Molecular Aggregation: Structure Analysis and Molecular Simulation of Crystals and Liquids (2007) (117)
A systematic analysis of packing energies and other packing parameters for fused‐ring aromatic hydrocarbons (1988) (112)
Theoretical aspects and computer modeling of the molecular solid state (1997) (91)
Toward a Quantitative Description of Crystal Packing in Terms of Molecular Pairs: Application to the Hexamorphic Crystal System, 5-Methyl-2-[(2-nitrophenyl)amino]-3-thiophenecarbonitrile† (2005) (83)
Structure and energy in organic crystals with two molecules in the asymmetric unit: causality or chance? (2008) (82)
Polymorphic Perversity: Crystal Structures with Many Symmetry-Independent Molecules in the Unit Cell † (2008) (80)
The “sceptical chymist”: intermolecular doubts and paradoxes (2013) (78)
Towards a realistic model for the quantitative evaluation of intermolecular potentials and for the rationalization of organic crystal structures. Part I. Philosophy (2003) (77)
Molecular free surface: a novel method of calculation and its uses in conformational studies and in organic crystal chemistry (1985) (72)
A solid-state chemist's view of the crystal polymorphism of organic compounds. (2007) (70)
Molecular Shape and Intermolecular Liaison: Hydrocarbons and Fluorocarbons (2003) (69)
Computer Prediction of Organic Crystal Structures Using Partial X-ray Diffraction Data (1996) (69)
Synthesis, X-ray diffraction and computational study of the crystal packing of polycyclic hydrocarbons featuring aromatic and perfluoroaromatic rings condensed in the same molecule: 1,2,3,4-tetrafluoronaphthalene, -anthracene and -phenanthrene. (2007) (68)
Computer simulations and analysis of structural and energetic features of some crystalline energetic materials. (2007) (60)
X-ray diffraction and theoretical studies for the quantitative assessment of intermolecular arene-perfluoroarene stacking interactions. (2006) (60)
The Crystal Packing of Organic Molecules: Challenge and Fascination Below 1000 Da (1998) (60)
Molecular Aggregation of Acetic Acid in a Carbon Tetrachloride Solution: A Molecular Dynamics Study with a View to Crystal Nucleation (1999) (60)
Ten years of experience in polymorph prediction: what next? (2002) (58)
Theoretical Study of Chiral Carboxylic Acids. Structural and Energetic Aspects of Crystalline and Liquid States (2015) (57)
Towards a realistic model for the quantitative evaluation of intermolecular potentials and for the rationalization of organic crystal structures. Part II. Crystal energy landscapes (2003) (55)
Proteogenic amino acids: chiral and racemic crystal packings and stabilities. (2012) (54)
Molecular recognition and crystal energy landscapes: an X-ray and computational study of caffeine and other methylxanthines. (2004) (53)
Packing analysis of organic crystals containing carbonyl or cyano groups (1990) (53)
Quantitative Ranking of Crystal Packing Modes by Systematic Calculations on Potential Energies and Vibrational Amplitudes of Molecular Dimers. (2005) (53)
Statistical analysis of some structural properties of solid hydrocarbons (1989) (52)
The Crystal Polymorphism of Tetrolic Acid (CH3CCCOOH): A Molecular Dynamics Study of Precursors in Solution, and a Crystal Structure Generation (1997) (51)
Cocrystallization with acetylene. The 1:1 Complex with benzene: Crystal growth, X-ray diffraction and molecular simulations. (2003) (50)
A Statistical Study of Density and Packing Variations among Crystalline Isomers (2000) (49)
Building Blocks of Crystal Engineering: A Large-Database Study of the Intermolecular Approach between C–H Donor Groups and O, N, Cl, or F Acceptors in Organic Crystals (2016) (48)
Structure and intermolecular potentials in molecular crystals (2002) (48)
Molecular symmetry, melting temperatures and melting enthalpies of substituted benzenes and naphthalenes (1995) (47)
Solid-State Behaviour of the Dichlorobenzenes: Actual, Semi-Virtual and Virtual Crystallography (2001) (46)
Molecular Shape and Crystal Packing: a Study of C12H12 Isomers, Real and Imaginary (2000) (44)
Benzene adsorption on the Rh(111) metal surface: A theoretical study (1986) (44)
The lines-of-force landscape of interactions between molecules in crystals; cohesive versus tolerant and 'collateral damage' contact. (2010) (43)
Molecular rearrangements in organic crystals. I. Potential energy calculations for some cases of reorientational disorder (1975) (42)
Molecular organization in crystalline [Co2(CO)8] and [Fe2(CO)9] and a search for alternative packings for [Co2(CO)8] (1992) (38)
Generation of unknown crystal phases for aromatic hydrocarbons by packing energy calculations (1990) (37)
Crystal packing and lattice energies of polythienyls: calculations and predictions (1991) (35)
Facts and Factors in the Formation and Stability of Binary Crystals (2016) (35)
The Cluster Approach in Theoretical Study of Chemisorption (1980) (35)
An extended Hückel study of adsorption of acetylene on Pt(111) (1980) (34)
Molecular Packing and Other Structural Properties of Crystalline Oxohydrocarbons (1991) (34)
Are racemic crystals favored over homochiral crystals by higher stability or by kinetics? Insights from comparative studies of crystalline stereoisomers. (2014) (33)
The crystal structure of 1,3,5-triammo-2,4,6-trimtrobenzene: Centrosymmetric or non-centrosymmetric? (1994) (31)
Comparing the strength of covalent bonds, intermolecular hydrogen bonds and other intermolecular interactions for organic molecules: X-ray diffraction data and quantum chemical calculations (2016) (30)
“Coulombic Compression”, a Pervasive Force in Ionic Solids. A Study of Anion Stacking in Croconate Salts (2014) (30)
General and Theoretical Aspects (of the Chemistry of Sulfones and Sulfoxides) (1989) (28)
Extended Hückel study of the chemisorption of acetylene on the Pt(III) surface (1977) (27)
Equilibrium structure and dynamics of organic crystals by Monte Carlo simulation: critical assessment of force fields and comparison with static packing analysis (2013) (25)
Hydrogen bond strength and bond geometry in cyclic dimers of crystalline carboxylic acids. (2008) (24)
On the preferred mutual orientation of aromatic groups in organic condensed media (1989) (23)
A quantitative analysis of the relative importance of symmetry operators in organic molecular crystals (1992) (22)
Computer simulations of organic solids and their liquid-state precursors (1997) (22)
How Molecules Stick Together in Organic Crystals: Weak Intermolecular Interactions (2009) (22)
Self-organization of small organic molecules in liquids, solutions and crystals: static and dynamic calculations (1998) (22)
Crystal packing of hydrocarbons. Effects of molecular size, shape and stoichiometry (1990) (22)
Sublimation Enthalpies of Organic Compounds: A Very Large Database with a Match to Crystal Structure Determinations and a Comparison with Lattice Energies (2019) (21)
The chemistry of intermolecular bonding: Organic crystals, their structures and transformations (2002) (21)
Molecular Packing and Correlations between Molecular and Crystal Properties (1994) (20)
Two-component organic crystals without hydrogen bonding: structure and intermolecular interactions in bimolecular stacking (2017) (20)
Competition between hydrogen bonding and arene–perfluoroarene stacking. X-Ray diffraction and molecular simulation on 5,6,7,8-tetrafluoro-2-naphthoic acid and 5,6,7,8-tetrafluoro-2-naphthamide crystals (2009) (19)
Molecular-orbital calculations on Pt2, PtH and PtCO with an optimized relativistic pseudopotential for Pt (1986) (19)
A Statistical Study of Density and Packing Variations Among Crystalline Isomers. (2000) (19)
Computational studies of crystal structure and bonding. (2012) (19)
X-ray diffraction and packing analysis on vintage crystals: Wilhelm Koerner's nitrobenzene derivatives from the School of Agricultural Sciences in Milano. (2004) (18)
Polymorphism of 7‐dimethylaminocyclopenta[c]coumarin: packing analysis and generation of trial crystal structures (1996) (18)
Monoclinic and Triclinic Tetraisopropyl‐p‐phenylenediamine: To what Extent do nN/π Interactions Determine Structures? (1993) (17)
Adsorbate-adsorbate interactions and the ordering of organic monolayers on metal surfaces (1985) (17)
SCF-MO-pseudopotential and extended Hueckel calculations on the interaction of carbon monoxide with platinum clusters (1988) (17)
A Molecular Dynamics Test of the Different Stability of Crystal Polymorphs under Thermal Strain (2000) (16)
Bond orbitals and intramolecular interactions. 1. Barriers to rotation and nonbonded interactions (1979) (16)
Simulation of phase separation in alcohol/water mixtures using two‐body force field and standard molecular dynamics (2006) (16)
Packing analysis in reactive crystals: the decomposition of bis(3,3,3-triphenylpropanoyl)peroxide in the solid state (1987) (15)
Molecular rearrangements in organic crystals. II. The role of intermolecular cooperation and dipole–dipole interactions (1976) (15)
Pseudopotential SCF–MO studies of hypervalent compounds. IV. Structure, vibrational assignments, and intramolecular forces in IF7 (1982) (15)
Crystal formation and stability: Physical principles and molecular simulation (2013) (14)
A molecular dynamics view of some kinetic and structural aspects of melting in the acetic acid crystal (1999) (14)
Computational contributions to crystal engineering (2008) (14)
SCF MO pseudopotential studies of chemisorption. The Pd(111)/CO system, with an optimized Pd pseudopotential (1986) (13)
Can a computer crystallize a liquid? Molecular simulation of continuous trajectories from liquid to crystalline n-hexane (2011) (12)
Organic crystals: engineering and design (1996) (12)
Semi-empirical calculations on the thermal cis-trans isomerization of 2-butene, 2-pentene, β-methylstyrene and stilbene (1972) (12)
Modeling hydrogen bonded crystals (2002) (12)
X-ray diffraction and molecular simulation study of the crystalline and liquid states of succinic anhydride. (2002) (12)
The Crystal Structure of 1,1-Di-p-tolylethylene (1970) (12)
A structural and spectroscopic investigation of the hydrochlorination of 4,4'-methylenedianiline. (2010) (12)
Molecular packing of crystalline azahydrocarbons (1992) (11)
SCF MO pseudopotential studies of chemisorption hydrogen + Pt(111) clusters (1984) (11)
Extended Hückel Molecular Orbital Calculations for the Bridged Annulenes (1976) (11)
Naphthalene and azulene adsorption on Pt(111). Extended Hückel calculations (1983) (10)
Orthorhombic and Monoclinic 2,3,7,8‐Tetramethoxythianthrene: Small Structural Difference–Large Lattice Change (1995) (9)
Molecular dynamics simulation of organic crystals: introducing the CLP-dyncry environment (2019) (9)
Molecular structure of p-nitrobiphenyl. A comparison of the results of X-ray crystal analysis with semi-empirical calculations of conformation (1973) (9)
Determination of the orientation of naphthalene molecules on Pt(111) by packing energy calculations (1982) (9)
Electrostatic Energies in the 1,4-Dichlorobenzene Polymorph Crystals: the Role of Charge Density Overlap Effects in Crystal Packing Analysis (2002) (9)
Molecular Level Insights on the Liquid–Solid Transition of Large Organics by Biased Monte Carlo Simulations (2013) (9)
Extended Huckel and empirical force field calculations for chemisorption on metal surfaces (1984) (8)
A quantitative measure of halogen bond activation in cocrystallization. (2017) (8)
Substituents effects in optical and geometrical isomerizations of cyclopropanes (1975) (7)
Force-field calculations on the structure and energy of azulene layers Pt(III) (1982) (7)
Mining the Cambridge Database for theoretical chemistry. Mi-LJC: a new set of Lennard-Jones–Coulomb atom–atom potentials for the computer simulation of organic condensed matter (2020) (7)
Orbital symmetry rules and steric hindrance in the thermal 1-3 sigmatropic rearrangement of bicyclo[3.2.0]heptenes to norbornenes. Extended Hückel calculations (1975) (7)
Reaction of halogenoacetylenes with sulphur nucleophiles studied by extended Hückel molecular orbital theory (1974) (7)
Crystal and molecular structure of 1,6:8,13-propane-1,3-diylidene[14]-annulene (1972) (7)
Hierarchies of Intermolecular Potentials and Forces: Progress Towards a Quantitative Evaluation (2005) (7)
EHT study of the dissociative chemisorption of acetylene on the Pt(111) surface (1979) (7)
Potential energy calculations and packing analysis for molecular motions in reactive diacyl peroxide crystals (1986) (7)
Pseudopotential SCF-MO studies of hypervalent compounds : Part III. I2, IF, IF3 and IF5 (1983) (6)
CRYSTAL PACKING (2005) (6)
Extended-Hückel calculations on chemisorption. Comparison of the results for acetylene on Ni(111), Rh(111) and Pt(111) surfaces (1982) (6)
A structural and spectroscopic investigation of the hydrochlorination of 4-benzylaniline: the interaction of anhydrous hydrogen chloride with chlorobenzene. (2009) (5)
Theoretical Studies of Molecular Motions and Reactivity in Organic Crystals (1988) (5)
On the generation of trial structures and the evaluation of the formation energy for layers of chemisorbed molecules on metal surfaces: Naphthalene and azulene on Rh(111) (1983) (5)
Extended Hückel calculations on the chemisorption of acetylene on tungsten (1979) (5)
SCF MO pseudopotential studies of chemisorption. The Pd(111) oxygen system (1984) (5)
Theoretical Studies of Solid-State Reactivity by Packing Density and Potential-Energy Maps: Hydrogen Transfer in 5-Nitro-3-thiophenecarboxaldehyde Crystals (1987) (4)
Pillars of crystal engineering: crystal energies and symmetry operators (2018) (4)
Molecular Dynamics Simulation of Molecular Crystals under Anisotropic Compression: Bulk and Directional Effects in Anthracene and Paracetamol (2020) (4)
Normalized one‐ and two‐dimensional distribution functions for interatomic distance and angle data from crystallographic databases (2010) (4)
The TACO Puzzle: A Phase-Transition Mystery Revisited (2018) (4)
Molecular shape and crystal packing analysis of 11,11-disubstituted 1,6-methano[10]annulenes (1986) (4)
The Crystal Structure of 1,6:8,13‐Propanediylidene[14]annulene (1970) (4)
Dynamic simulation of liquid molecular nanoclusters: structure, stability and quantification of internal (pseudo)symmetries (2019) (4)
Polymorphism of As4S3 (tris-(μ2-sulfido)-tetra-arsenic): accurate structure refinement on natural α- and β-dimorphites and inferred room temperature thermodynamic properties (2013) (4)
Coulombic and dispersive factors in the molecular recognition of peptides: PIXEL calculations on two NNQQ (Asn-Asn-Gln-Gln) crystal polymorphs. (2008) (4)
Extended hückel investigation of reaction mechanisms (1976) (4)
Re: “Crystal Engineering in the Regulatory and Patent Literature of Pharmaceutical Solid Forms” (2017) (4)
NON-COVALENT INTERACTIONS IN ORGANIC CRYSTALS, AND THE CALIBRATION OF EMPIRICAL FORCE FIELDS (1994) (3)
Topics in Structural Chemistry through After‐Dinner Humor (2017) (3)
The Chemistry of Intermolecular Bonding: Organic Crystals, Their Structures and Transformations. (2002) (3)
Packing Analysis for Reactive Crystals (1983) (3)
Kinetic-Bias Model for the Dynamic Simulation of Molecular Aggregation. The Liquid, Solute, Solvated-Nanodrop, and Solvated-Nanocrystal States of Benzoic Acid (2022) (2)
X-ray diffraction and computational studies of the pressure-dependent tetrachloroethane solvation of diphenylanthracene (2016) (2)
Possible control and prediction of crystal structure : optimized potential functions for non-hydrogen bonded organic crystals (1993) (1)
Packing analysis and calculation of sublimation energies of borane crystals (1983) (1)
Crystalline Molecular Complexes and Compounds. 2 Bde. Von Frank H. Herbstein. (2006) (1)
Structure and Reactivity: An Extended Huckel Approach (1979) (1)
Crystal polymorphism: Conventional and real wisdom (2021) (1)
The intermolecular chemical bond: Physical facts and geometric fiction (2021) (1)
Collective Variables for the Simulation of Crystallization of Organic Compounds: Some Case Studies (2021) (1)
Crystal Structure Calculations: 2 (2002) (1)
The Prediction of the Crystal Packing of Organic Molecules: Geometry and Intermolecular Potentials (1991) (1)
Molecular Packing in Liquids, Solutions, and Crystals: Acetic Acid as a Test Case (1999) (1)
Organic Crystal Structure Analysis and Prediction (2004) (1)
Self Atom-Atom Empirical Potentials for the Static and Dynamic Simulation of Condensed Phases (2000) (1)
Italian Academic Life (1995) (1)
Molecular Motions in Organic Crystals: The Structural Point of View (1989) (1)
Structure-property and structure–activity relationships (2006) (0)
Epilogue: A theory of crystallization? (2006) (0)
Crystal symmetry and X-ray diffraction (2006) (0)
The Chemisorption of Acetylene on the Pt(111) Surface. Extended Huckel Results (1979) (0)
The crystal packing of organic small molecules (1996) (0)
Pseudopotential SCF-MO studies of hypervalent: Part III. I2, IF, IF3 and IF5 (1982) (0)
The physical nature and the computer simulation of the intermolecular potential (2006) (0)
Crystalline Molecular Complexes and Compounds. Vols. 1 & 2. By Frank H. Herbstein. (2006) (0)
Self-Organization in Molecular Crystals, Liquids and Solutions: Computer Studies (1999) (0)
Phase equilibria, phase changes, and mesophases: Analysis and simulation (2006) (0)
Crystallography without Crystals: A Structural Study of Fakein (2022) (0)
Chapter 18:Molecular Cohesion and the Structure of Organic Crystals (2007) (0)
Multi-molecular asymmetric units and cocrystals: Symmetry violation (2021) (0)
Correlation studies in organic solids (2006) (0)
Periodic systems: Crystal orbitals and lattice dynamics (2006) (0)
EXTENDED HUECKEL MOLECULAR ORBITAL CALCULATIONS FOR THE BRIDGED ANNULENES (1977) (0)
The dynamic simulation of aggregate chemical systems: Use and misuse of long lists of numbers (2021) (0)
THE CRYSTAL PACKING OF CHLORINE- AND SULFUR-CONTAINING COMPOUNDS (1993) (0)
Supramolecular Interactions: Energetic Considerations (2007) (0)
X-ray analysis of crystals and the Cambridge structural database: Use and better uses (2021) (0)
ORBITAL SYMMETRY RULES AND STERIC HINDRANCE IN THE THERMAL 1-3 SIGMATROPIC REARRANGEMENT OF BICYCLO(3.2. -0)HEPTENES TO NORBORNENES. EXTENDED HUECKEL CALCULATIONS (1975) (0)
充てんエネルギーの計算によるPt(111)面上のナフタレン分子の配向の決定 (1982) (0)
The liquid state (2006) (0)
Extended Hückel studies of chemisorption on nickel. Substituted acetylenes and kink sites (1983) (0)
Molecular structure and macroscopic properties: Calorimetry and thermodynamics (2006) (0)
Molecular vibrations and molecular force fields (2006) (0)
Crystal polymorphism and crystal structure prediction (2006) (0)
Perspectives in computational molecular dynamics (2002) (0)
On the symmetry of periodic structures in two dimensions (1986) (0)
The Computer Prediction of the Assembling of Organic Molecules into Crystals: A Perspective (1999) (0)
Molecular Shape and Crystal Packing: A Study of C12H12 Isomers, Real and Imaginary. (2000) (0)
Crystal structure prediction from molecular structure: Highlights and shadows (2021) (0)
General and theoretical aspects of the acetylenic compounds (2010) (0)
Organic crystal nucleation and growth: Little knowledge, much mystery (2021) (0)
Symmetry considerations with respect to space‐group extinctions and weight in intensity statistics (1973) (0)
CLPdyn: a cheap and reliable tool for molecular dynamics studies of organic molecules in the condensed phase (2019) (0)
Modeling Hydrogen-Bonded Crystals (2003) (0)
REACTION OF HALOGENOACETYLENES WITH SULPHUR NUCLEOPHILES STUDIED BY EXTENDED HUECKEL MOLECULAR ORBITAL THEORY (1974) (0)
Molecular Shape and Crystal Packing Analysis of 11,11-Disubstituted 1,6-Methano[10]annulenes. (1986) (0)
Dynamic simulation of orientational disorder in organic crystals: methyl groups, trifluoromethyl groups and whole molecules. (2022) (0)
The organic crystal potential: History, development, and today's cost/performance ratios (2021) (0)
Molecular Organization in Crystalline (Co2(CO)8) and (Fe2(CO)9) and a Search for Alternative Packings for (Co2(CO)8) (1992) (0)
The crystalline state of rubrene materials: intermolecular recognition, isomorphism, polymorphism, and periodic bond-chain analysis of morphologies (2022) (0)
The molecule: structure, size and shape (2006) (0)
Experimental and theoretical studies of organic molecules and crystals (1987) (0)
syn-1,6-Imino-8,13-methano[14]annulene (1982) (0)
Electron densities and chemical bonding: Old and new ideas (2021) (0)

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What Schools Are Affiliated With Angelo Gavezzotti?

Angelo Gavezzotti is affiliated with the following schools:

University of Milan