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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	2-Mar-2019	Monoterpenes-26-CBS-QB3	Pahima, Efrat	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP; RCCSD; RMP4SDQ-FC; RMP2-FC; CBS-QB3	-	-389.7401848; Eh
	2-Mar-2019	Monoterpenes-16-CBS-QB3	Pahima, Efrat	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP; RCCSD; RMP4SDQ-FC; RMP2-FC; CBS-QB3	-	-389.7598585; Eh
	2-Mar-2019	Monoterpenes-12-CBS-QB3	Pahima, Efrat	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP; RCCSD; RMP4SDQ-FC; RMP2-FC; CBS-QB3	-	-389.7485424; Eh
	2-Mar-2019	Monoterpenes-11-CBS-QB3	Pahima, Efrat	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP; RCCSD; RMP4SDQ-FC; RMP2-FC; CBS-QB3	-	-389.7494859; Eh
	2-Mar-2019	Monoterpenes-06-CBS-QB3	Pahima, Efrat	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP; RCCSD; RMP4SDQ-FC; RMP2-FC; CBS-QB3	-	-389.7518962; Eh
	2-Mar-2019	Monoterpenes-03-CBS-QB3	Pahima, Efrat	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP; RCCSD; RMP4SDQ-FC; RMP2-FC; CBS-QB3	-	-389.766483; Eh
	2-Mar-2019	Monoterpenes-TS(LOAc-B)-M06-2X_6-31+(d,p)	Pahima, Efrat	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RM062X	-	-619.827940226; Eh
	2-Mar-2019	Monoterpenes-TS(E-F)-M06-2X_6-31+(d,p)	Pahima, Efrat	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RM062X	-	-390.778698815; Eh
	2-Mar-2019	Monoterpenes-TS(A-LOAc)-M06-2X_6-31+(d,p)	Pahima, Efrat	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RM062X	-	-619.827534800; Eh
	2-Mar-2019	Monoterpenes-O-M06-2X_6-31+(d,p)	Pahima, Efrat	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RM062X	-	-390.853139736; Eh

Results 171-180 of 182 (Search time: 0.001 seconds).