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Computers & Chemistry|July 19, 2001
Sequence alignment: an approximation law for the Z-value with applications to databank scanningJ N Bacro, J P CometComputers & Chemistry|July 19, 2001
Amino acid residue environments and predictions of residue typeW Kim, W J WilburComputers & Chemistry|May 18, 2000
Density functional study of the S0 (X1Ag) and T1 (a3Au) states of the glyoxal moleculeZelek, Wasilewski, HeldtComputers & Chemistry|May 18, 2000
Absolute and relative energies from polarized atomic orbital self-consistent field calculations and a second order correction. Convergence with size and composition of the secondary basisLee, Head-GordonComputers & Chemistry|May 18, 2000
Interaction of Ia and IIa group cations with the guanine site in cytosine-guanine nucleic acid base pair: an ab initio Hartree Fock study in the absence of basis set superposition errorA Famulari, F Moroni, M Sironi, et al.Computers & Chemistry|May 18, 2000
New conjugated polyenes with 1,3-dialkyl-2-thiobarbituric acid moiety as materials for nonlinear optics: theoretical calculations, synthesis and spectral propertiesDomagalska, Wilk, Szymusiak, et al.Computers & Chemistry|May 18, 2000
Ab initio calculations on the five-membered alumino-silicate framework rings model: implications for dissolution in alkaline solutionsXu, Van Deventer JSComputers & Chemistry|May 18, 2000
Improved QSARs for predictive toxicology of halogenated hydrocarbonsS Trohalaki, E Gifford, R PachterComputers & Chemistry|February 24, 2001
QSPR studies of PCBs by the combination of genetic algorithms and PLS analysisZ DarenComputers & Chemistry|January 12, 2001
On variable-step methods for the numerical solution of Schrödinger equation and related problemsG Avdelas, T E SimosPageof 27