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The MRSDCI studies of four low-lying electronic states of the NCO+ molecule: Chem. Phys. Letters 190 (1992) 381


Publisher
Elsevier Science
Year
1992
Tongue
English
Weight
11 KB
Volume
194
Category
Article
ISSN
0009-2614

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๐Ÿ“œ SIMILAR VOLUMES


Ab initio study of four low-lying electr
โœ Z.-L. Cai; X.-G. Zhang; X.-Y. Wang ๐Ÿ“‚ Article ๐Ÿ“… 1993 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 499 KB

The equilibrium geometries, excitation energies, force constants and vibrational frequencies for the low-lying electronic states X %-, a 'A, A 3n and 1 'II of the CCS molecule have been calculated at the MRSDCI level with a double-zeta plus polarization basis set. Our optimized geometric parameters