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1

The “sceptical chymist”: intermolecular doubts and paradoxes

Gavezzotti, Angelo

Journal:

Year:

2013

Language:

english

File:

PDF, 1002 KB

english, 2013

2

Mining the Cambridge Database for theoretical chemistry. Mi-LJC: a new set of Lennard-JonesâCoulomb atomâatom potentials for the computer simulation of organic condensed matter

Gavezzotti, Angelo, Lo Presti, Leonardo, Rizzato, Silvia

Journal:

Year:

2020

File:

PDF, 1.44 MB

2020

3

A Molecular Dynamics Study of the Structure and Evolution of the 4,4′-Bis(diphenylhydroxymethyl)biphenyl/Acetone Host-Guest System

Angelo Gavezzotti

Journal:

Chemistry - A European Journal

Year:

2000

Language:

english

File:

PDF, 323 KB

english, 2000

4

X-ray Diffraction and Molecular Simulation Study of the Crystalline and Liquid States of Succinic Anhydride

Valeria Ferretti, Paola Gilli, Angelo Gavezzotti

Journal:

Chemistry - A European Journal

Year:

2002

Language:

english

File:

PDF, 172 KB

english, 2002

5

Molecular Shape and Crystal Packing: a Study of C12H12 Isomers, Real and Imaginary

Jack D. Dunitz, Giuseppe Filippini, Angelo Gavezzotti

Journal:

Helvetica Chimica Acta

Year:

2000

Language:

english

File:

PDF, 318 KB

english, 2000

6

Solid-State Behaviour of the Dichlorobenzenes: Actual, Semi-Virtual and Virtual Crystallography

Roland Boese, Michael T. Kirchner, Jack D. Dunitz, Giuseppe Filippini, Angelo Gavezzotti

Journal:

Helvetica Chimica Acta

Year:

2001

Language:

english

File:

PDF, 197 KB

english, 2001

7

Electrostatic Energies in the 1,4-Dichlorobenzene Polymorph Crystals: the Role of Charge Density Overlap Effects in Crystal Packing Analysis

Jack D. Dunitz, Angelo Gavezzotti

Journal:

Helvetica Chimica Acta

Year:

2002

Language:

english

File:

PDF, 365 KB

english, 2002

8

Kristallstruktur von 1,6;8,13-Propandiyliden-[14]-annulen

Dr. Gianluigi Casalone, Dr. Angelo Gavezzotti, Dr. Angelo Mugnoli, Prof. Dr. Massimo Simonetta

Journal:

Angewandte Chemie

Year:

1970

Language:

german

File:

PDF, 134 KB

german, 1970

9

Monoklines und triklines Tetraisopropyl-para-phenylendiamin: Wie strukturbestimmend sind nN/π-Wechselwirkungen?

Prof. Dr. Hans Bock, Ilka Göbel, Christian Näther, Dr. Zdenek Havlas, Prof. Dr. Angelo Gavezzotti, Dr. Guiseppe Filippini

Journal:

Angewandte Chemie

Year:

1993

Language:

german

File:

PDF, 510 KB

german, 1993

10

Orthorhombisches und monoklines 2,3,7,8-Tetramethoxythianthren: kleiner Strukturunterschied – große Gitteränderung

Prof. Dr. Hans Bock, Dipl.-Chem. Andreas Rauschenbach, Dipl.-Chem. Christian Näther, Dr. Zdenek Havlas, Angelo Gavezzotti, Prof. Dr. Guiseppe Filippini

Journal:

Angewandte Chemie

Year:

1995

File:

PDF, 429 KB

1995

11

Molekulare Erkennung in organischen Kristallen: gerichtete intermolekulare oder nichtlokalisierte Bindungen?

Jack D. Dunitz, Angelo Gavezzotti

Journal:

Angewandte Chemie

Year:

2005

Language:

german

File:

PDF, 681 KB

german, 2005

12

Crystalline Molecular Complexes and Compounds. 2 Bde. Von Frank H. Herbstein.

Angelo Gavezzotti

Journal:

Angewandte Chemie

Year:

2006

Language:

german

File:

PDF, 174 KB

german, 2006

13

The Crystal Structure of 1,6:8,13-Propanediylidene[14]annulene

Dr. Gianluigi Casalone, Dr. Angelo Gavezzotti, Dr. Angelo Mugnoli, Dr. Massimo Simonetta

Journal:

Angewandte Chemie International Edition

Year:

1970

Language:

english

File:

PDF, 126 KB

english, 1970

14

Monoclinic and Triclinic Tetraisopropyl-p-phenylenediamine: To what Extent do nN/π Interactions Determine Structures?

Prof. Dr. Hans Bock, Dipl.-Chem. Ilka Göbel, Dipl.-Chem. Christian Näther, Dr. Zdenek Havlas, Prof. Dr. Angelo Gavezzotti, Dr. Giuseppe Filippini

Journal:

Angewandte Chemie International Edition

Year:

1993

Language:

english

File:

PDF, 517 KB

english, 1993

15

Orthorhombic and Monoclinic 2,3,7,8-Tetramethoxythianthrene: Small Structural Difference–Large Lattice Change

Prof. Dr. Hans Bock, Dipl.-Chem. Andreas Rauschenbach, Dipl.-Chem. Christian Näther, Dr. Zdenek Havlas, Prof. Dr. Angelo Gavezzotti, Dr. Guiseppe Filippini

Journal:

Angewandte Chemie International Edition

Year:

1995

Language:

english

File:

PDF, 389 KB

english, 1995

16

Molecular Recognition in Organic Crystals: Directed Intermolecular Bonds or Nonlocalized Bonding?

Jack D. Dunitz, Angelo Gavezzotti

Journal:

Angewandte Chemie International Edition

Year:

2005

Language:

english

File:

PDF, 673 KB

english, 2005

17

Crystalline Molecular Complexes and Compounds. Vols. 1 & 2. By Frank H. Herbstein.

Angelo Gavezzotti

Journal:

Angewandte Chemie International Edition

Year:

2006

Language:

english

File:

PDF, 174 KB

english, 2006

18

Molecular Recognition and Crystal Energy Landscapes: An X-ray and Computational Study of Caffeine and Other Methylxanthines

Lucia Carlucci, Angelo Gavezzotti

Journal:

Chemistry - A European Journal

Year:

2005

Language:

english

File:

PDF, 335 KB

english, 2005

19

X-ray Diffraction and Theoretical Studies for the Quantitative Assessment of Intermolecular Arene–Perfluoroarene Stacking Interactions

Sergio Bacchi, Maurizio Benaglia, Franco Cozzi, Francesco Demartin, Giuseppe Filippini, Angelo Gavezzotti

Journal:

Chemistry - A European Journal

Year:

2006

Language:

english

File:

PDF, 542 KB

english, 2006

20

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

Franco Cozzi, Sergio Bacchi, Giuseppe Filippini, Tullio Pilati, Angelo Gavezzotti

Journal:

Chemistry - A European Journal

Year:

2007

Language:

english

File:

PDF, 237 KB

english, 2007

21

ChemInform Abstract: Attractions and Repulsions in Molecular Crystals: What Can Be Learned from the Crystal Structures of Condensed Ring Aromatic Hydrocarbons?

Jack D. Dunitz, Angelo Gavezzotti

Journal:

Year:

1999

File:

PDF, 26 KB

1999

22

ChemInform Abstract: A Statistical Study of Density and Packing Variations Among Crystalline Isomers.

Jack D. Dunitz, Giuseppe Filippini, Angelo Gavezzotti

Journal:

Year:

2000

File:

PDF, 31 KB

2000

23

ChemInform Abstract: Molecular Shape and Crystal Packing: A Study of C12H12 Isomers, Real and Imaginary.

Jack D. Dunitz, Giuseppe Filippini, Angelo Gavezzotti

Journal:

Year:

2000

File:

PDF, 27 KB

2000

24

ChemInform Abstract: The Chemistry of Intermolecular Bonding: Organic Crystals, Their Structures and Transformations.

Angelo Gavezzotti

Journal:

Year:

2002

File:

PDF, 23 KB

2002

25

Molecular Recognition in Organic Crystals: Directed Intermolecular Bonds or Nonlocalized Bonding?

Jack D. Dunitz, Angelo Gavezzotti

Journal:

Year:

2005

File:

PDF, 8 KB

2005

26

ChemInform Abstract: How Molecules Stick Together in Organic Crystals: Weak Intermolecular Interactions

Jack D. Dunitz, Angelo Gavezzotti

Journal:

Year:

2009

File:

PDF, 15 KB

2009

27

Extended Hückel Molecular Orbital Calculations for the Bridged Annulenes

Angelo Gavezzotti, Massimo Simonetta

Journal:

Helvetica Chimica Acta

Year:

1976

Language:

english

File:

PDF, 764 KB

english, 1976

28

Cocrystallization with Acetylene. The 1 : 1 Complex with Benzene: Crystal Growth, X-Ray Diffraction and Molecular Simulations

Roland Boese, Timothy Clark, Angelo Gavezzotti

Journal:

Helvetica Chimica Acta

Year:

2003

Language:

english

File:

PDF, 189 KB

english, 2003

29

Molecular Shape and Intermolecular Liaison: Hydrocarbons and Fluorocarbons

Jack D. Dunitz, Angelo Gavezzotti, W. Bernd Schweizer

Journal:

Helvetica Chimica Acta

Year:

2003

Language:

english

File:

PDF, 289 KB

english, 2003

30

A solid-state chemist's view of the crystal polymorphism of organic compounds

Angelo Gavezzotti

Journal:

Journal of Pharmaceutical Sciences

Year:

2007

Language:

english

File:

PDF, 127 KB

english, 2007

31

Extended Hückel study of the chemisorption of acetylene on the Pt(III) surface

Angelo Gavezzotti, Massimo Simonetta

Journal:

Chemical Physics Letters

Year:

1977

Language:

english

File:

PDF, 423 KB

english, 1977

32

EHT study of the dissociative chemisorption of acetylene on the Pt(111) surface

Angelo Gavezzotti, Massimo Simonetta

Journal:

Chemical Physics Letters

Year:

1979

Language:

english

File:

PDF, 529 KB

english, 1979

33

Potential energy calculations and packing analysis for molecular motions in reactive diacyl peroxide crystals

Angelo Gavezzotti, Riccardo Bianchi

Journal:

Chemical Physics Letters

Year:

1986

Language:

english

File:

PDF, 351 KB

english, 1986

34

A Statistical Study of Density and Packing Variations among Crystalline Isomers

Jack D. Dunitz, Giuseppe Filippini, Angelo Gavezzotti

Journal:

Year:

2000

Language:

english

File:

PDF, 137 KB

english, 2000

35

Hierarchies of Intermolecular Potentials and Forces: Progress Towards a Quantitative Evaluation

Angelo Gavezzotti

Journal:

Structural Chemistry

Year:

2005

Language:

english

File:

PDF, 366 KB

english, 2005

36

The Crystal Packing of Organic Molecules: Challenge and Fascination Below 1000 Da

Gavezzotti, Angelo

Journal:

Crystallography Reviews

Year:

1998

Language:

english

File:

PDF, 5.67 MB

english, 1998

37

Are Crystal Structures Predictable?

Gavezzotti, Angelo

Journal:

Accounts of Chemical Research

Year:

1994

Language:

english

File:

PDF, 865 KB

english, 1994

38

Calculation of lattice energies of organic crystals: the PIXEL integration method in comparison with more traditional methods

Gavezzotti, Angelo

Journal:

Zeitschrift für Kristallographie

Year:

2005

Language:

english

File:

PDF, 282 KB

english, 2005

39

Organic crystals: engineering and design

Angelo Gavezzotti

Journal:

Current Opinion in Solid State & Materials Science

Year:

1996

Language:

english

File:

PDF, 610 KB

english, 1996

40

Computer Prediction of Organic Crystal Structures Using Partial X-ray Diffraction Data

Gavezzotti, Angelo, Filippini, Giuseppe

Journal:

Journal of the American Chemical Society

Year:

1996

Language:

english

File:

PDF, 150 KB

english, 1996

41

Efficient computer modeling of organic materials. The atom–atom, Coulomb–London–Pauli (AA-CLP) model for intermolecular electrostatic-polarization, dispersion and repulsion energies

Gavezzotti, Angelo

Journal:

New Journal of Chemistry

Year:

2011

Language:

english

File:

PDF, 949 KB

english, 2011

42

Polymorphism of As4S3(tris-(μ2-sulfido)-tetra-arsenic): accurate structure refinement on natural α- and β-dimorphites and inferred room temperature thermodynamic properties

Angelo Gavezzotti, Francesco Demartin, Carlo Castellano, Italo Campostrini

Journal:

Physics and Chemistry of Minerals

Year:

2013

Language:

english

File:

PDF, 476 KB

english, 2013

43

How molecules stick together in organic crystals: weak intermolecular interactions

Dunitz, Jack D., Gavezzotti, Angelo

Journal:

Chemical Society Reviews

Year:

2009

Language:

english

File:

PDF, 674 KB

english, 2009

44

Ten years of experience in polymorph prediction: what next?Based on the presentation given at CrystEngComm Discussion, 29th June?1st July 2002, Bristol, UK.

Gavezzotti, Angelo

Journal:

Year:

2002

Language:

english

File:

PDF, 193 KB

english, 2002

45

Structure and energy in organic crystals with two molecules in the asymmetric unit: causality or chance?

Gavezzotti, Angelo

Journal:

Year:

2008

Language:

english

File:

PDF, 14.89 MB

english, 2008

46

Attractions and Repulsions in Molecular Crystals: What Can Be Learned from the Crystal Structures of Condensed Ring Aromatic Hydrocarbons?

Dunitz, Jack D., Gavezzotti, Angelo

Journal:

Accounts of Chemical Research

Year:

1999

Language:

english

File:

PDF, 89 KB

english, 1999

47

Intermolecular Interaction Energies in Molecular Crystals: Comparison and Agreement of Localized Møller–Plesset 2, Dispersion-Corrected Density Functional, and Classical Empirical Two-Body Calculations

Maschio, Lorenzo, Civalleri, Bartolomeo, Ugliengo, Piero, Gavezzotti, Angelo

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 1.99 MB

english, 2011

48

X-ray Diffraction Studies and Computer Simulations of the Crystal and Molecular Structure of 2,5-Di-(9,9-dimethylfluoren-2-yl)-3,4-dihexyl-thiophene-1,1- dioxide, a Photoluminescent Material †

Destri, Silvia, Pasini, Mariacecilia, Porzio, William, Gavezzotti, Angelo, Filippini, Giuseppe

Journal:

Crystal Growth & Design

Year:

2003

Language:

english

File:

PDF, 446 KB

english, 2003

49

Molecular Level Insights on the Liquid–Solid Transition of Large Organics by Biased Monte Carlo Simulations

Gavezzotti, Angelo

Journal:

Crystal Growth & Design

Year:

2013

Language:

english

File:

PDF, 924 KB

english, 2013

50

Computer Simulations and Analysis of Structural and Energetic Features of Some Crystalline Energetic Materials

Eckhardt, Craig J., Gavezzotti, Angelo

Journal:

Journal of Physical Chemistry B

Year:

2007

Language:

english

File:

PDF, 215 KB

english, 2007

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