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Browsing by Author Lamsabhi, Al Mokhtar

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Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
11-Jul-2024	/Acridine/Acridine-H/Charge_0 q0_p11_M2	Lamsabhi, Al Mokhtar	Gaussian; 16; EM64L-G16RevB.01	Geometry optimization Minimum	UB3LYP	6-31G(D,P) 6-311++G(3DF,3PD)	-555.058397; Eh
11-Jul-2024	/Acridine/Acridine-H/Charge_0 q0_p11_M4	Lamsabhi, Al Mokhtar	Gaussian; 16; EM64L-G16RevB.01	Geometry optimization Minimum	UB3LYP	6-31G(D,P) 6-311++G(3DF,3PD)	-554.9891169; Eh
11-Jul-2024	/Acridine/Acridine-H/Charge_0 q0_p1_M2	Lamsabhi, Al Mokhtar	Gaussian; 16; EM64L-G16RevB.01	Geometry optimization Minimum	UB3LYP	6-31G(D,P) 6-311++G(3DF,3PD)	-555.0576258; Eh
11-Jul-2024	/Acridine/Acridine-H/Charge_0 q0_p1_M4	Lamsabhi, Al Mokhtar	Gaussian; 16; EM64L-G16RevB.01	Geometry optimization Minimum	UB3LYP	6-31G(D,P) 6-311++G(3DF,3PD)	-554.9866672; Eh
11-Jul-2024	/Acridine/Acridine-H/Charge_0 q0_p2_M2	Lamsabhi, Al Mokhtar	Gaussian; 16; EM64L-G16RevB.01	Geometry optimization Minimum	UB3LYP	6-31G(D,P) 6-311++G(3DF,3PD)	-555.0541583; Eh
11-Jul-2024	/Acridine/Acridine-H/Charge_0 q0_p2_M4	Lamsabhi, Al Mokhtar	Gaussian; 16; EM64L-G16RevB.01	Geometry optimization Minimum	UB3LYP	6-31G(D,P) 6-311++G(3DF,3PD)	-554.9855555; Eh
11-Jul-2024	/Acridine/Acridine-H/Charge_0 q0_p8_M2	Lamsabhi, Al Mokhtar	Gaussian; 16; EM64L-G16RevB.01	Geometry optimization Minimum	UB3LYP	6-31G(D,P) 6-311++G(3DF,3PD)	-555.0567356; Eh
11-Jul-2024	/Acridine/Acridine-H/Charge_0 q0_p8_M4	Lamsabhi, Al Mokhtar	Gaussian; 16; EM64L-G16RevB.01	Geometry optimization Minimum	UB3LYP	6-31G(D,P) 6-311++G(3DF,3PD)	-554.9869141; Eh
11-Jul-2024	/Acridine/Acridine-H/Charge_0 q0_p9_M2	Lamsabhi, Al Mokhtar	Gaussian; 16; EM64L-G16RevB.01	Geometry optimization Minimum	UB3LYP	6-31G(D,P) 6-311++G(3DF,3PD)	-555.0578508; Eh
11-Jul-2024	/Acridine/Acridine-H/Charge_0 q0_p9_M4	Lamsabhi, Al Mokhtar	Gaussian; 16; EM64L-G16RevB.01	Geometry optimization Minimum	UB3LYP	6-31G(D,P) 6-311++G(3DF,3PD)	-554.9891851; Eh
11-Jul-2024	/Acridine/Acridine-H/Charge_1 q1_p11_M1	Lamsabhi, Al Mokhtar	Gaussian; 16; EM64L-G16RevB.01	Geometry optimization Minimum	RB3LYP	6-31G(D,P) 6-311++G(3DF,3PD)	-554.7749565; Eh
11-Jul-2024	/Acridine/Acridine-H/Charge_1 q1_p11_M3	Lamsabhi, Al Mokhtar	Gaussian; 16; EM64L-G16RevB.01	Geometry optimization Minimum	UB3LYP	6-31G(D,P) 6-311++G(3DF,3PD)	-554.7783867; Eh
11-Jul-2024	/Acridine/Acridine-H/Charge_1 q1_p1_M1	Lamsabhi, Al Mokhtar	Gaussian; 16; EM64L-G16RevB.01	Geometry optimization Minimum	RB3LYP	6-31G(D,P) 6-311++G(3DF,3PD)	-554.7689721; Eh
11-Jul-2024	/Acridine/Acridine-H/Charge_1 q1_p1_M3	Lamsabhi, Al Mokhtar	Gaussian; 16; EM64L-G16RevB.01	Geometry optimization Minimum	UB3LYP	6-31G(D,P) 6-311++G(3DF,3PD)	-554.7756931; Eh
11-Jul-2024	/Acridine/Acridine-H/Charge_1 q1_p2_M1	Lamsabhi, Al Mokhtar	Gaussian; 16; EM64L-G16RevB.01	Geometry optimization Minimum	RB3LYP	6-31G(D,P) 6-311++G(3DF,3PD)	-554.7658183; Eh
11-Jul-2024	/Acridine/Acridine-H/Charge_1 q1_p2_M3	Lamsabhi, Al Mokhtar	Gaussian; 16; EM64L-G16RevB.01	Geometry optimization Minimum	UB3LYP	6-31G(D,P) 6-311++G(3DF,3PD)	-554.7739913; Eh
11-Jul-2024	/Acridine/Acridine-H/Charge_1 q1_p8_M1	Lamsabhi, Al Mokhtar	Gaussian; 16; EM64L-G16RevB.01	Geometry optimization Minimum	RB3LYP	6-31G(D,P) 6-311++G(3DF,3PD)	-554.7638844; Eh
11-Jul-2024	/Acridine/Acridine-H/Charge_1 q1_p8_M3	Lamsabhi, Al Mokhtar	Gaussian; 16; EM64L-G16RevB.01	Geometry optimization Minimum	UB3LYP	6-31G(D,P) 6-311++G(3DF,3PD)	-554.7757251; Eh
11-Jul-2024	/Acridine/Acridine-H/Charge_1 q1_p9_M1	Lamsabhi, Al Mokhtar	Gaussian; 16; EM64L-G16RevB.01	Geometry optimization Minimum	RB3LYP	6-31G(D,P) 6-311++G(3DF,3PD)	-554.7751487; Eh
11-Jul-2024	/Acridine/Acridine-H/Charge_1 q1_p9_M3	Lamsabhi, Al Mokhtar	Gaussian; 16; EM64L-G16RevB.01	Geometry optimization Minimum	UB3LYP	6-31G(D,P) 6-311++G(3DF,3PD)	-554.7776656; Eh

Showing results 1 to 20 of 801 next >