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Computer and chemistry

GarJ85 Garavelli, J. S., Leonard, J. E. Improvements in the computer enumeration of permutation isomers. Computers and Chemistry 9 (1985) 133-147. [Pg.140]

Andzelm, J. W., D. T. Nguyen, R. Eggenberger, D. R. Salahub, and A. T. Hagler. 1995. Applications of the Adiabatic Connection Method to Conformational Equilibria and Reactions Involving Formic Acid. Computers and Chemistry 19, 145. [Pg.123]

Chojnacki, H., J. Andzelm, D. T. Nguyen, and A. Sokalski. 1995. Preliminary Density Functional Calculations on the Formic Acid Dimer. Computers and Chemistry 19,181. [Pg.127]

Burbidge, R., Trotter, M., Holden, S., and Buxton, B. (2001) Drug design by machine learning support vector machines for pharmaceutical data analysis. Computers and Chemistry 26, 4—15 ( http //stats.ma.ic.ac.uk/rdb/pubs/aisb00rbmt-final.pdf). [Pg.211]

Roscoe, B. A. Hopke, P. K. Comparison of Weighted and Unweighted Target Transformation Rotations in Factor Analysis, Computers and Chemistry, in press,... [Pg.48]

M. Uchida, CFEC2 A code for multi-phase chemical equilibria, Computers and Chemistry, 11 (1987) 19-24. [Pg.138]

H. Rabitz, Sensitivity analysis Theory with applications to molecular dynamics and kinetics. Computers and Chemistry, 5 (1980) 167-180. [Pg.317]

P. Valkd and S. Vajda, An extended ODE solver for sensitivity calculations, Computers and Chemistry, 8 (1984) 255-271. [Pg.317]

T. R. Dickson, The Computer and Chemistry An Introduction to Programming and Numerical Methods, Freeman, San Francisco, 1968. [Pg.261]

Yockey, H.P. 2000. Origin of life on earth and Shannon s theory of communication. Computers and Chemistry, 24 (1), 105-123. [Pg.293]

Rudolph J. Marcus Consultant, Computers and Chemistry Research... [Pg.186]

R. J. Harrison and R. A. Kendall, Chem. Design Autom. News, 8, 20 (1993). Parallel Computing and Chemistry—The Vendors and You. [Pg.302]

For many years the focus of a large number of theoretical chemists was on the development of better computational methods and approximations. There was a small, but growing number of chemists who were interested in applying these methods to practical questions of concern to experimentalists. Computational chemistry has now achieved de facto recognition as a discipline through formation of the Division of Computers in Chemistry of the American Chemical Society and through the publications of Journal of Computational Chemistry, Journal of Molecular Structure, Computers and Chemistry, and Journal of Molecular Graphics. [Pg.403]

Balaban, A.T. (1985c). Symbolic Computation and Chemistry. In EUROCAL-85 (Buchberger, B., ed.). Springer, Berlin (Germany), pp. 68-79. [Pg.530]

M. J. Sippl and H. Stegebuchner. Superposition of three dimensional objects A fast and numerically stable algorithm for the calculation of the matrix of optimal rotation. Computers and Chemistry, 15 73-78, 1991. [Pg.366]

Wootton, J. C. and Federhen, S. (1993) Statistics of local complexity in amino acid sequences and sequence databases. Computers and Chemistry, Elsevier Science, Amsterdam, The Netherlands. [Pg.175]

Wan H and JC Wootton (2000) A global compositional complexity measure for biological sequences AT-rich and GC-rich genomes encode less complex proteins. Computers and Chemistry 24 71-94... [Pg.382]

D. E. Williams and T. L. Starr, Computers and Chemistry, 1, 173 (1977). Calculation of the Crystal Structures of Hydrocarbons by Molecular Packing Analysis. [Pg.269]

Larger scale applications which involve one or more of these functions and have some built-in intellegence are more difficult to implement. However, this situation is changing rapidly as developments in computer science become more readily available. In this respect, it is unfortunate that few scientists are trained in, say, computing and chemistry. [Pg.454]

COMPUTERS AND CHEMISTRY AT CALIFORNIA STATE UNIVERSITY, LOS ANGELES... [Pg.214]

Computers and Chemistry at California State University, Los Angeles 215... [Pg.215]

Nordlander, J.E., Bond IV, A.F., and Bader, M. (1985) ATCOOR A program for calculation and utilization of molecular atomic coordinates from bond parameters. Computers and Chemistry, 9,209-235 (1985). [Pg.332]

Smith E Thermodynamics of natural selection III Landauer s principle in computation and chemistry. J Theor Biol 2008, 252(2) 213—220. [Pg.100]

See other pages where Computer and chemistry is mentioned: [Pg.334]    [Pg.124]    [Pg.124]    [Pg.124]    [Pg.145]    [Pg.335]    [Pg.336]    [Pg.68]    [Pg.291]    [Pg.289]    [Pg.557]    [Pg.218]    [Pg.258]    [Pg.359]    [Pg.209]    [Pg.46]    [Pg.470]    [Pg.472]    [Pg.104]    [Pg.56]    [Pg.218]    [Pg.129]    [Pg.218]   
See also in sourсe #XX -- [ Pg.403 ]

See also in sourсe #XX -- [ Pg.470 ]



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