The prediction of density

[1]  R. Gdanitz.  Prediction of molecular crystal structures by Monte Carlo simulated annealing without reference to diffraction data , 1992 .

[2]  W. Garner,et al.  CCXI.—The melting points and heats of crystallisation of the normal long-chain hydrocarbons , 1931 .

[3]  Terry R. Stouch,et al.  A simple method for the representation, quantification, and comparison of the volumes and shapes of chemical compounds , 1986, J. Chem. Inf. Comput. Sci..

[4]  Jan Kroon,et al.  Attempted prediction of the crystal structures of six monosaccharides , 1995 .

[5]  Kendall N. Houk,et al.  TRANSITION-STATE MODELING WITH EMPIRICAL FORCE FIELDS , 1993 .

[6]  J. T. Rubino.  Solubilities and solid state properties of the sodium salts of drugs. , 1989, Journal of pharmaceutical sciences.

[7]  Aage Fredenslund,et al.  Group contribution method for the prediction of liquid densities as a function of temperature for solvents, oligomers, and polymers , 1991 .

[8]  C. Fyfe,et al.  Parachors in drug design. , 1975, Biochemical pharmacology.

[9]  H. Ammon,et al.  A New Atom/Functional Group Volume Additivity Data Base for the Calculation of the Crystal Densities of C, H, N, O and F‐Containing Compounds , 1998 .

[10]  Harold G. Rackett.  Equation of state for saturated liquids , 1970 .

[11]  Stephen E. Stein,et al.  Estimation of normal boiling points from group contributions , 1994, J. Chem. Inf. Comput. Sci..

[12]  J. B. Austin.  A RELATION BETWEEN THE MOLECULAR WEIGHTS AND MELTING POINTS OF ORGANIC COMPOUNDS , 1930 .

[13]  James R. Holden,et al.  Prediction of possible crystal structures for C‐, H‐, N‐, O‐, and F‐containing organic compounds , 1993, J. Comput. Chem..

[14]  K. Meyer,et al.  Les propriétés des polymères en solution VII. Solubilité des séries homologues et polymères‐homologues , 1937 .

[15]  E. Stevens,et al.  Synthesis of Benzotriazolo[1,2-a]benzotriazole Derivatives as New High Density, Insensitive Energetic Materials , 1996 .

[16]  J. Traube.  Ueber das Molekularvolumen , 1895 .

[17]  Nobuhiro Gō,et al.  Algorithm for rapid calculation of excluded volume of large molecules , 1989 .

[18]  Gregory S. Girolami,et al.  A Simple "Back of the Envelope" Method for Estimating the Densities and Molecular Volumes of Liquids and Solids , 1994 .

[19]  Attractions and Repulsions in Molecular Crystals: What Can Be Learned from the Crystal Structures of Condensed Ring Aromatic Hydrocarbons? , 1999 .

[20]  D. V. Krevelen,et al.  Prediction of polymer densities , 1969 .

[21]  E. Ōsawa,et al.  Molecular Mechanics Calculations in Organic Chemistry: Examples of the Usefulness of this Simple Non‐Quantum Mechanical Model , 1983 .

[22]  John J. Marano,et al.  General equation for correlating the thermophysical properties of n-paraffins, n-olefins, and other homologous series : 2. Asymptotic behavior correlations for PVT properties , 1997 .

[23]  R. Gdanitz,et al.  Ab Initio prediction of possible crystal structures for general organic molecules , 1992 .

[24]  A. Bondi.  van der Waals Volumes and Radii , 1964 .

[25]  Stanley B. Adler,et al.  A critical review of equations for predicting saturated liquid density , 1978 .

[26]  A. Gavezzotti,et al.  Are Crystal Structures Predictable , 1994 .

[27]  O. Exner.  Conception and Significance of the Parachor , 1962, Nature.

[28]  Molecular volumes and densities of liquids and solids by molecular mechanics—estimation and analysis , 1996 .

[29]  C. Tarver.  Density estimations for explosives and related compounds using the group additivity approach , 1979 .

[30]  Samuel H. Yalkowsky,et al.  Boiling Point and Melting Point Prediction for Aliphatic, Non-Hydrogen-Bonding Compounds , 1995 .

[31]  K. Joback,et al.  ESTIMATION OF PURE-COMPONENT PROPERTIES FROM GROUP-CONTRIBUTIONS , 1987 .

[32]  M. Broadhurst,et al.  An Analysis of the Solid Phase Behavior of the Normal Paraffins , 1962, Journal of Research of the National Bureau of Standards. Section A, Physics and Chemistry.

[33]  A. Gavezzotti,et al.  The calculation of molecular volumes and the use of volume analysis in the investigation of structured media and of solid-state organic reactivity , 1983 .

[34]  R Langridge,et al.  Real-time color graphics in studies of molecular interactions. , 1981, Science.

[35]  R. Lorenz,et al.  Das Verhältnis von Schmelzpunkt zu Siedepunkt , 1922 .

[36]  D. E. Williams,et al.  Ab initio molecular packing analysis , 1996 .

[37]  D. Golden,et al.  Additivity rules for the estimation of thermochemical properties , 1969 .

[38]  S. Benson,et al.  Additivity Rules for the Estimation of Molecular Properties. Thermodynamic Properties , 1958 .

[39]  J. Dearden,et al.  The QSAR prediction of melting point, a property of environmental relevance. , 1991, The Science of the total environment.

[40]  B. D. Anderson,et al.  Predictive relationships in the water solubility of salts of a nonsteroidal anti-inflammatory drug. , 1985, Journal of pharmaceutical sciences.

[41]  Samuel H. Yalkowsky,et al.  Group Contribution Methods for Predicting the Melting Points and Boiling Points of Aromatic Compounds , 1994 .

[42]  R. Keyes.  High-Temperature Thermal Conductivity of Insulating Crystals: Relationship to the Melting Point , 1959 .

[43]  S. Yalkowsky,et al.  Solubility and partitioning VI: octanol solubility and octanol-water partition coefficients. , 1983, Journal of pharmaceutical sciences.

[44]  Lionello Pogliani,et al.  Molecular Modeling by Linear Combinations of Connectivity Indexes , 1995 .

[45]  Donald E. Williams.  Molecular packing analysis , 1972 .

[46]  D. Wales,et al.  Empirical Correlations between Thermodynamic Properties and Intermolecular Forces , 1995 .

[47]  Donald E. Williams,et al.  Computer Calculation of Molecular Crystal Structures , 1968, Science.

[48]  S. Benson,et al.  Estimation of heats of formation of organic compounds by additivity methods , 1993 .

[49]  Calvin F. Spencer,et al.  Improved equation for prediction of saturated liquid density , 1972 .

[50]  P. Seybold,et al.  Molecular modeling of the physical properties of the alkanes , 1988 .

[51]  Didier Villemin,et al.  Application of neural network approach for prediction of some thermochemical properties of alkanes , 1994 .

[52]  A. Gavezzotti,et al.  Polymorphic Forms of Organic Crystals at Room Conditions: Thermodynamic and Structural Implications , 1995 .

[53]  A. Immirzi,et al.  Prediction of density in organic crystals , 1977 .

[54]  Modelling drug design II: QSAR approach to the prediction of melting points of substituted anilines , 1988 .

[55]  Joseph T. Rubino,et al.  Solubility, melting point and salting-out relationships in a group of secondary amine hydrochloride salts , 1996 .

[56]  Samuel Sugden,et al.  CXLII.—A relation between surface tension, density, and chemical composition , 1924 .

[57]  H. Ammon,et al.  Synthesis, characterization and crystal density modeling of four C24H28 cage-functionalized alkenes , 1994 .

[58]  Alan R. Katritzky,et al.  Predicting Physical Properties from Molecular Structure , 1994 .

[59]  Karen L. Altmann,et al.  Chemistry of Tetraazapentalenes , 1998 .

[60]  A. Gavezzotti,et al.  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 .

[61]  Osborne R. Quayle,et al.  The Parachors of Organic Compounds. An Interpretation and Catalogue. , 1953 .

[62]  A. Gavezzotti,et al.  Generation of possible crystal structures from molecular structure for low-polarity organic compounds , 1991 .

[63]  M. Charton,et al.  Quantitative description of structural effects on melting points of substituted alkanes , 1994 .

[64]  D. Williams,et al.  A method of calculating molecular crystal structures , 1969 .

[65]  Thomas L. Starr,et al.  Calculation of the crystal structures of hydrocarbons by molecular packing analysis , 1977, Comput. Chem..

[66]  Samuel H. Yalkowsky,et al.  Melting point and normal boiling point correlations: applications to rigid aromatic compounds , 1993, J. Chem. Inf. Comput. Sci..

[67]  J. Wolff.  Crystal Packing and Molecular Geometry , 1996 .

[68]  Otto Exner,et al.  Additive physical properties. II. Molar volume as an additive property , 1967 .

[69]  Otto Exner,et al.  Additive physical properties. I. General relationships and problems of statistical nature , 1966 .