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Item hits:

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
31-May-2022	TS3	Prasad, Supreeth	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RPBE1PBE	DEF2SVP	-1736.19866099; Eh
31-May-2022	C6H5F	Prasad, Supreeth	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RPBE1PBE	DEF2TZVP	-331.251442169; Eh
31-May-2022	CF4	Prasad, Supreeth	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RPBE1PBE	DEF2TZVP	-437.275206757; Eh
31-May-2022	TS2_TS3_RC	Prasad, Supreeth	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RPBE1PBE	DEF2TZVP	-1737.84170328; Eh
31-May-2022	TeF2CF3	Prasad, Supreeth	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RPBE1PBE	DEF2TZVP	-804.860893842; Eh
31-May-2022	SbF6	Prasad, Supreeth	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RPBE1PBE	DEF2TZVP	-839.371855528; Eh
31-May-2022	SbF5	Prasad, Supreeth	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RPBE1PBE	DEF2TZVP	-739.321599045; Eh
31-May-2022	TeF3	Prasad, Supreeth	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RPBE1PBE	DEF2TZVP	-567.221194950; Eh
31-May-2022	TS1	Prasad, Supreeth	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RPBE1PBE	DEF2TZVP	-998.432125353; Eh
31-May-2022	TS6_TS8_RC	Prasad, Supreeth	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RPBE1PBE	DEF2SVP	-1973.62376557; Eh

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