ioChem-BD Browse - Matter Lab: Search

Search

previous
1
...
66
67
68
69
70
71
72
...
247
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	6-Aug-2024	/3g-sphos/3g-sphos-25-ts-t5-t6 3g-sphos-25-ts-t5-t6-orcasp	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-2415.10509014; Eh
	6-Aug-2024	/3i-xphos/3i-xphos-00-lpdoh2 3i-xphos-00-lpdoh2-orcasp	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-3805.40573290; Eh
	6-Aug-2024	/3d-cyjohnphos/3d-cyjohnphos-03-c1 3d-cyjohnphos-03-c1-orcasp	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-2110.39771224; Eh
	6-Aug-2024	/9h-pme3/9h-pme3-84-lig 9h-pme3-84-lig-orcasp	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-460.38537981; Eh
	6-Aug-2024	/2g-pcy3/2g-pcy3-79-ts-hc3-pd0boh3 2g-pcy3-79-ts-hc3-pd0boh3-opt	Ser, Cher Tian	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RPBEPBE	DEF2SVP DEF2SVP/W06	-2194.58970543; Eh
	7-Aug-2024	/2j-ptbu3/2j-ptbu3-17-ts-t2-t3 2j-ptbu3-17-ts-t2-t3-opt	Ser, Cher Tian	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBEPBE	DEF2SVP DEF2SVP/W06	-1730.15889474; Eh
	6-Aug-2024	/9e-pcbu3/9e-pcbu3-16-t2-h2o 9e-pcbu3-16-t2-h2o-opt	Ser, Cher Tian	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBEPBE	DEF2SVP DEF2SVP/W06	-1726.53561455; Eh
	6-Aug-2024	/2c-pph3/2c-pph3-41-p1-boh3 2c-pph3-41-p1-boh3-orcasp	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-2906.86292968; Eh
	6-Aug-2024	/3h-ruphos/3h-ruphos-16-t2-h2o 3h-ruphos-16-t2-h2o-orcasp	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-2571.86773897; Eh
	6-Aug-2024	/3q-adjohnphos/3q-adjohnphos-24-t5 3q-adjohnphos-24-t5-orcasp	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-2495.36020635; Eh

Results 681-690 of 2462 (Search time: 0.001 seconds).