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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	2-Mar-2019	Monoterpenes-21-CBS-QB3	Pahima, Efrat	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP; RCCSD; RMP4SDQ-FC; RMP2-FC; CBS-QB3	-	-389.7413599; Eh
	2-Mar-2019	Monoterpenes-18-CBS-QB3	Pahima, Efrat	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP; RCCSD; RMP4SDQ-FC; RMP2-FC; CBS-QB3	-	-389.7465509; Eh
	2-Mar-2019	Monoterpenes-17-CBS-QB3	Pahima, Efrat	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP; RCCSD; RMP4SDQ-FC; RMP2-FC; CBS-QB3	-	-389.745739; Eh
	2-Mar-2019	Monoterpenes-14-CBS-QB3	Pahima, Efrat	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP; RCCSD; RMP4SDQ-FC; RMP2-FC; CBS-QB3	-	-389.7467543; Eh
	2-Mar-2019	Monoterpenes-09-CBS-QB3	Pahima, Efrat	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP; RCCSD; RMP4SDQ-FC; RMP2-FC; CBS-QB3	-	-389.7621661; Eh
	2-Mar-2019	Monoterpenes-08-CBS-QB3	Pahima, Efrat	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP; RCCSD; RMP4SDQ-FC; RMP2-FC; CBS-QB3	-	-389.7628871; Eh
	2-Mar-2019	Monoterpenes-02-CBS-QB3	Pahima, Efrat	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP; RCCSD; RMP4SDQ-FC; RMP2-FC; CBS-QB3	-	-389.7653568; Eh
	2-Mar-2019	Monoterpenes-TS(D-J)-M06-2X_6-31+(d,p)	Pahima, Efrat	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RM062X	-	-390.848164221; Eh
	2-Mar-2019	Monoterpenes-TS(C-E)-M06-2X_6-31+(d,p)	Pahima, Efrat	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RM062X	-	-390.826345901; Eh
	2-Mar-2019	Monoterpenes-TS(B-C)-M06-2X_6-31+(d,p)	Pahima, Efrat	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RM062X	-	-390.819441690; Eh

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