ioChem-BD Browse - Matter Lab: Search

Search

previous
1
...
533
534
535
536
537
538
539
...
583
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	5-May-2025	/3t-tbujohnphos/3t-tbujohnphos-6cn15-t2/3t-tbujohnphos-6cn15-t2-orcasp 3t_tbujohnphos_6cn15_t2	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-2048.06030699; Eh
	5-May-2025	/3t-tbujohnphos/3t-tbujohnphos-6cn13-t1/3t-tbujohnphos-6cn13-t1-orcasp 3t_tbujohnphos_6cn13_t1	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-2048.03753895; Eh
	5-May-2025	/3t-tbujohnphos/3t-tbujohnphos-6cn10-ts-c3-c4/3t-tbujohnphos-6cn10-ts-c3-c4-opt 3t_tbujohnphos_6cn10_ts_c3_c4	Ser, Cher Tian	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RPBEPBE	DEF2SVP DEF2SVP/W06	-1874.48413491; Eh
	5-May-2025	/3t-tbujohnphos/3t-tbujohnphos-6cn12-ts-rxt-t1/3t-tbujohnphos-6cn12-ts-rxt-t1-opt 3t_tbujohnphos_6cn12_ts_rxt_t1	Ser, Cher Tian	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RPBEPBE	DEF2SVP DEF2SVP/W06	-2050.23592391; Eh
	5-May-2025	/3t-tbujohnphos/3t-tbujohnphos-6cn08-c3-boh3/3t-tbujohnphos-6cn08-c3-boh3-opt 3t_tbujohnphos_6cn08_c3_boh3	Ser, Cher Tian	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBEPBE	DEF2SVP DEF2SVP/W06	-2126.59966850; Eh
	5-May-2025	/3t-tbujohnphos/3t-tbujohnphos-6cn11-c4/3t-tbujohnphos-6cn11-c4-opt 3t_tbujohnphos_6cn11_c4	Ser, Cher Tian	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBEPBE	DEF2SVP DEF2SVP/W06	-1874.50169703; Eh
	5-May-2025	/3t-tbujohnphos/3t-tbujohnphos-6cn09-c3/3t-tbujohnphos-6cn09-c3-opt 3t_tbujohnphos_6cn09_c3	Ser, Cher Tian	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBEPBE	DEF2SVP DEF2SVP/W06	-1874.53658756; Eh
	5-May-2025	/3t-tbujohnphos/3t-tbujohnphos-6cn10-ts-c3-c4/3t-tbujohnphos-6cn10-ts-c3-c4-orcasp 3t_tbujohnphos_6cn10_ts_c3_c4	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-1872.33991452; Eh
	5-May-2025	/3t-tbujohnphos/3t-tbujohnphos-6cn08-c3-boh3/3t-tbujohnphos-6cn08-c3-boh3-orcasp 3t_tbujohnphos_6cn08_c3_boh3	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-2124.33847171; Eh
	5-May-2025	/3t-tbujohnphos/3t-tbujohnphos-6cn11-c4/3t-tbujohnphos-6cn11-c4-orcasp 3t_tbujohnphos_6cn11_c4	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-1872.35709777; Eh

Results 5351-5360 of 5823 (Search time: 0.005 seconds).