ioChem-BD Browse - UdG: Search

Search

previous
1
...
81
82
83
84
85
86
87
...
88
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	3-Oct-2021	/cyc//cyc ox0 s_cyc_34_76_0_000-00x	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RCAM-B3LYP; TD-FC	6-311G(D,P)	-1025.924259; Eh
	23-Apr-2022	C6F5Cl_D_abs	Iglesias-Reguant, Alex	Gaussian; 16; EM64L-G16RevC.01	Single point Structure	TD-FC	AUG-CC-PVDZ GEN	-2507.4911624; Eh
	23-Apr-2022	C6F5Br_D_ES	Iglesias-Reguant, Alex	Gaussian; 16; EM64L-G16RevC.01	Single point Structure	TD-FC	AUG-CC-PVDZ GEN	-2464.65452434; Eh
	23-Apr-2022	C6F5Cl_D_ES	Iglesias-Reguant, Alex	Gaussian; 16; EM64L-G16RevC.01	Single point Structure	TD-FC	AUG-CC-PVDZ GEN	-2507.48245091; Eh
	23-Apr-2022	C6F5Br_D_abs	Iglesias-Reguant, Alex	Gaussian; 16; EM64L-G16RevC.01	Single point Structure	TD-FC	AUG-CC-PVDZ GEN	-2464.6653923; Eh
	23-Apr-2022	C6F5I_D_ES	Iglesias-Reguant, Alex	Gaussian; 16; EM64L-G16RevC.01	Single point Structure	TD-FC	AUG-CC-PVDZ GEN	-2342.36200798; Eh
	23-Apr-2022	C6F5I_D_abs	Iglesias-Reguant, Alex	Gaussian; 16; EM64L-G16RevC.01	Single point Structure	TD-FC	AUG-CC-PVDZ GEN	-2342.3748465; Eh
	3-Jan-2023	oq_pbe0_6311gdp_acn_s1_min	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RPBE1PBE; TD-FC	6-311G(D,P)	-1322.92531398; Eh
	3-Jan-2023	IQ-Me_S1_Min	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RPBE1PBE; TD-FC	6-311G(D,P)	-1322.92531398; Eh
	7-Jan-2023	/ACN-PBE_6-311g(d,p) IQ-Me_S1_Min	Blancafort, Lluís	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RPBE1PBE; TD-FC	6-311G(D,P)	-1322.92531398; Eh

Results 831-840 of 874 (Search time: 0.001 seconds).