HONDO

Molden (we tested Version 3.6) is a molecular display program. It can display molecular geometries read from a number of molecular file formats. Various views of the wave function can be displayed from the output of the Gaussian and GAMESS programs. Some functionality is available from MOP AC and AMP AC files. Conversion programs are available to import wave functions from ADF, MOLPRO, ACES II, MOLCAS, DALTON, Jaguar, and HONDO. 

Source code for the early packages such as POLYATOM, HONDO and GAUS-SIAN70 are still available from the Quantum Chemistry Program Exchange, for... 

Programming languages for the LCAP systems comprises traditional FORTRAN and FORTRAN-like directives which are interpreted by a precompiler developed in our laboratory. The directives provide syntactical constructs for interprocessor communication and synchronization. A detailed description of the implementation of our quantum chemistry package HONDO has been given elsewhere. (Dupuis, M. Watts, J. D. Theor. Chim. Acta, in press.) Our experience indicates that the calculations done in the study described above were executed in parallel at a very high level of efficiency. 

As our computations use the HONDO/8 program (22) which is based on the CPHF (Coupled Perturbed Hartree Fock) method (23) we begin by briefly recalling this method. 

The calculation of Mayer bond orders and valence indices is straightforward using the codes that Mayer has made available on the Internet [14]. The formulas have been built into several electronic structure codes, like HONDO [15], Gaussian 03 [16] (note that in Gaussian only the closed-shell formulas have been coded), ADF [17], and some versions of GAMESS [18]. 

Tyromyces palustris Hondo spruce (Picea jezoensis) 18 45 Imamura and Nishimoto (1 987a)... 

Hondo H, Nakahara T, Nakamura K, Hirano M, Uchimura H, et al. 1995. The effect of phencyclidine on the basal and high potassium evoked extracellular GABA levels in the striatum of freely-moving rats an in vivo microdialysis study. Brain Res 671(1) 54-62. 

Klesper, E. Corwin, A. H. Turner, D. A. J. Org. Chem., 1962, 27, 700. Sugiyama, K. Saito, M. Hondo, T. Seda, M. J. Chromatogr. 1985, 332, 107. Anderson, I. G. M. Supercritical fluid extraction coupled to packed column supercritical fluid chromatography. In Supercritical Fluid Extraction and Its Use in Chromatographic Sample Preparation Westwood, S. A. Ed., Blackie Academic and Professional, Chapman and Hall UK, 1993 p. 112. 

STEREOCHEMICAL TERMINOLOGY, lUPAC RECOMMENDATIONS HOMOTROPIC INTERACTION MONOD-WYMAN-CHANGEUX MODEL ALLOSTERISM HEMOGLOBIN "HONDO,"... 

Kikuchi O, Hondo Y, Morihashi K, Nakayama M. Bull Chem Soc Jpn 1988 61 291. Mackie JC, Colkey MB, Nelson PF. J Phys Chem 1990 94 4099. 

---