ioChem-BD Browse - Matter Lab: Search

Search

previous
1
...
441
442
443
444
445
446
447
...
522
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	26-Jan-2025	/3j-iprjohnphos/3j-iprjohnphos-41-p1-boh3/3j-iprjohnphos-41-p1-boh3-orcasp 3j-iprjohnphos-41-p1-boh3-orcasp	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-2916.29793681; Eh
	26-Jan-2025	/3j-iprjohnphos/3j-iprjohnphos-43-t3-lig/3j-iprjohnphos-43-t3-lig-orcasp 3j-iprjohnphos-43-t3-lig-orcasp	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-2740.60824862; Eh
	26-Jan-2025	/3j-iprjohnphos/3j-iprjohnphos-42-p1/3j-iprjohnphos-42-p1-orcasp 3j-iprjohnphos-42-p1-orcasp	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-2664.36512026; Eh
	26-Jan-2025	/3j-iprjohnphos/3j-iprjohnphos-40-ts-t2-p1/3j-iprjohnphos-40-ts-t2-p1-opt 3j-iprjohnphos-40-ts-t2-p1-opt	Ser, Cher Tian	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RPBEPBE	DEF2SVP DEF2SVP/W06	-2919.22482872; Eh
	26-Jan-2025	/3j-iprjohnphos/3j-iprjohnphos-38-ts-yb-c1/3j-iprjohnphos-38-ts-yb-c1-opt 3j-iprjohnphos-38-ts-yb-c1-opt	Ser, Cher Tian	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RPBEPBE	DEF2SVP DEF2SVP/W06	-1956.00548013; Eh
	26-Jan-2025	/3j-iprjohnphos/3j-iprjohnphos-39-t2-lig/3j-iprjohnphos-39-t2-lig-opt 3j-iprjohnphos-39-t2-lig-opt	Ser, Cher Tian	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBEPBE	DEF2SVP DEF2SVP/W06	-2919.24706352; Eh
	26-Jan-2025	/3j-iprjohnphos/3j-iprjohnphos-37-yb/3j-iprjohnphos-37-yb-opt 3j-iprjohnphos-37-yb-opt	Ser, Cher Tian	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBEPBE	DEF2SVP DEF2SVP/W06	-1956.03402282; Eh
	26-Jan-2025	/3j-iprjohnphos/3j-iprjohnphos-40-ts-t2-p1/3j-iprjohnphos-40-ts-t2-p1-orcasp 3j-iprjohnphos-40-ts-t2-p1-orcasp	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-2916.24495084; Eh
	26-Jan-2025	/3j-iprjohnphos/3j-iprjohnphos-36-ts-rxt-yb/3j-iprjohnphos-36-ts-rxt-yb-orcasp 3j-iprjohnphos-36-ts-rxt-yb-orcasp	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-1953.95046693; Eh
	26-Jan-2025	/3j-iprjohnphos/3j-iprjohnphos-38-ts-yb-c1/3j-iprjohnphos-38-ts-yb-c1-orcasp 3j-iprjohnphos-38-ts-yb-c1-orcasp	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-1953.93516087; Eh

Results 4431-4440 of 5215 (Search time: 0.005 seconds).