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Title

PHYSICOCHEMICAL PROPERTIES OF [PHMT][Y1-10] ENERGETIC IONIC LIQUID: STRUCTURES, BINDING ENERGIES, AND VIBRATIONAL FREQUENCIES

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Abstract

 THE HYDROGEN BOND FORMED BETWEEN CATION  PHENYL METHYL TRIAZOLIUM [PHMT] AND THE ANIONS (Y1-10 =CH3CO2 -, CL-, NO3 -, CF3CO2 -, BF4 -, CLO4 -, N(CN)2 -, PF6-, NTF2-, AND C(CN)3 -) HAVE BEEN INVESTIGATED USING M06-2X METHOD IN CONJUNCTION WITH THE 6-311++G(D,P) BASIS SET IN GAS PHASE. ...

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