ioChem-BD Browse - Matter Lab: Search

Search

previous
1
...
555
556
557
558
559
560
561
...
593
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	26-Jan-2025	/3o-davephos/3o-davephos-00-lpdoh2/3o-davephos-00-lpdoh2-opt 3o-davephos-00-lpdoh2-opt	Ser, Cher Tian	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBEPBE	DEF2SVP DEF2SVP/W06	-3371.20310306; Eh
	5-May-2025	/3h-ptbu3/3h-ptbu3-6ome09-c3/3h-ptbu3-6ome09-c3-opt 3h_ptbu3_6ome09_c3	Ser, Cher Tian	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBEPBE	DEF2SVP DEF2SVP/W06	-1592.46080737; Eh
	26-Jan-2025	/9e-pcbu3/9e-pcbu3-19-t3/9e-pcbu3-19-t3-opt 9e-pcbu3-19-t3-opt	Ser, Cher Tian	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBEPBE	DEF2SVP DEF2SVP/W06	-1474.47059396; Eh
	5-May-2025	/3t-tbujohnphos/3t-tbujohnphos-6omee04-ts-ec1-ec2/3t-tbujohnphos-6omee04-ts-ec1-ec2-orcasp 3t_tbujohnphos_6omee04_ts_ec1_ec2	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-2304.09542248; Eh
	5-May-2025	/3m-cyjohnphos/3m-cyjohnphos-6omee13-ts-etrxt-et1/3m-cyjohnphos-6omee13-ts-etrxt-et1-orcasp 3m_cyjohnphos_6omee13_ts_etrxt_et1	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-2458.50007026; Eh
	26-Jan-2025	/3k-phjohnphos/3k-phjohnphos-23-ts-c5-c6/3k-phjohnphos-23-ts-c5-c6-orcasp 3k-phjohnphos-23-ts-c5-c6-orcasp	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-2179.53010725; Eh
	26-Jan-2025	/3aa-adbrettphos/3aa-adbrettphos-08-c3-boh3/3aa-adbrettphos-08-c3-boh3-orcasp 3aa-adbrettphos-08-c3-boh3-orcasp	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-3076.42013962; Eh
	26-Jan-2025	/3h-ptbu3/3h-ptbu3-08-c3-boh3/3h-ptbu3-08-c3-boh3-orcasp 3h-ptbu3-08-c3-boh3-orcasp	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-1728.36891405; Eh
	26-Jan-2025	/3r-xphos/3r-xphos-03-c1/3r-xphos-03-c1-orcasp 3r-xphos-03-c1-orcasp	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-2462.98035538; Eh
	26-Jan-2025	/3y-me4tbuxphos/3y-me4tbuxphos-69-t4-boh3/3y-me4tbuxphos-69-t4-boh3-opt 3y-me4tbuxphos-69-t4-boh3-opt	Ser, Cher Tian	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBEPBE	DEF2SVP DEF2SVP/W06	-2544.51953877; Eh

Results 5571-5580 of 5927 (Search time: 0.003 seconds).