Conformer selective monohydrated clusters of 1,2,3,4-tetrahydroisoquinoline in S-0: I-Potential energy surface studies, vibrational signatures and NBO analysis

Das, S; Chakraborty, A

Chakraborty, A (corresponding author), Univ Burdwan, Dept Phys, Golapbag Campus, Burdwan 713104, W Bengal, India.

JOURNAL OF MOLECULAR STRUCTURE, 2021; 1225 ():

Abstract

The global minima in the potential energy surface of 1, 2, 3, 4-tetrahydroisoquinoline (THIQ):(H2O) pre fer the twisted equatorial orientation of the ......

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