✍ Scribed by Soon Ng
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📜 SIMILAR VOLUMES
## Anestimateoftherateconstant forthevibration-to-vibrationenergy transferprocess2Hz(v = I)-H2(~ = O)+ Hz& = 2) is made by analyzing the dependence of the effective rate of relaxation on the degee of laser excitation. At 82 K it is (6.3 f 2.1) X 1O-'6 cm3 molecule-t s-~.
SCF MO CIICUIXIO~S at the 6.31G\*\* level of approumauon are reporred for 'H and "N eleclrx licld gradients III HCN--HCN. HCN-HF, and CH3CN.m.HF dlmers, wth emphasis on the configurational dependence oi these quantitxs in (HCN),. In compxaon wth available experimental nuclcm qu3drupolar coupling con
## Abstract ^13^C chemical shieldings and ^14^N and ^2^H electric field gradient (EFG) tensors of L‐alanylglycine (L‐alagly) dipeptide were calculated at RHF/6–31 + + G\*\* and B3LYP/6–31 + + G\*\* levels of theory respectively. For these calculations a crystal structure of this dipeptide obtained