화학공학소재연구정보센터
검색결과 : 11건
No. Article
1 Proteogenic Amino Acids: Chiral and Racemic Crystal Packings and Stabilities
Dunitz JD, Gavezzotti A
Journal of Physical Chemistry B, 116(23), 6740, 2012
2 Intermolecular Interaction Energies in Molecular Crystals: Comparison and Agreement of Localized Moller-Plesset 2, Dispersion-Corrected Density Functional, and Classical Empirical Two-Body Calculations
Maschio L, Civalleri B, Ugliengo P, Gavezzotti A
Journal of Physical Chemistry A, 115(41), 11179, 2011
3 Computer simulations and analysis of structural and energetic features of some crystalline energetic materials
Eckhardt CJ, Gavezzotti A
Journal of Physical Chemistry B, 111(13), 3430, 2007
4 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
Gavezzotti A
Journal of Physical Chemistry B, 107(10), 2344, 2003
5 Calculation of intermolecular interaction energies by direct numerical integration over electron densities. I. Electrostatic and polarization energies in molecular crystals
Gavezzotti A
Journal of Physical Chemistry B, 106(16), 4145, 2002
6 A molecular dynamics test of the different stability of crystal polymorphs under thermal strain
Gavezzotti A
Journal of the American Chemical Society, 122(43), 10724, 2000
7 Computer-Prediction of Organic-Crystal Structures Using Partial X-Ray-Diffraction Data
Gavezzotti A, Filippini G
Journal of the American Chemical Society, 118(30), 7153, 1996
8 Polymorphic Forms of Organic-Crystals at Room Conditions - Thermodynamic and Structural Implications
Gavezzotti A, Filippini G
Journal of the American Chemical Society, 117(49), 12299, 1995
9 Italian Academic Life
Gavezzotti A
Science, 267(5200), 949, 1995
10 Geometry of the Intermolecular X-H...Y (X, Y=n, O) Hydrogen-Bond and the Calibration of Empirical Hydrogen-Bond Potentials
Gavezzotti A, Filippini G
Journal of Physical Chemistry, 98(18), 4831, 1994