ioChem-BD Browse - Matter Lab: Search

Search

previous
1
...
306
307
308
309
310
311
312
...
522
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	26-Jan-2025	/9c-etjohnphos/9c-etjohnphos-16-t2-h2o/9c-etjohnphos-16-t2-h2o-orcasp 9c-etjohnphos-16-t2-h2o-orcasp	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-1875.63439572; Eh
	26-Jan-2025	/9c-etjohnphos/9c-etjohnphos-15-t2/9c-etjohnphos-15-t2-orcasp 9c-etjohnphos-15-t2-orcasp	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-1799.37551963; Eh
	26-Jan-2025	/9c-etjohnphos/9c-etjohnphos-13-t1/9c-etjohnphos-13-t1-orcasp 9c-etjohnphos-13-t1-orcasp	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-1799.35810948; Eh
	26-Jan-2025	/9c-etjohnphos/9c-etjohnphos-12-ts-rxt-t1/9c-etjohnphos-12-ts-rxt-t1-opt 9c-etjohnphos-12-ts-rxt-t1-opt	Ser, Cher Tian	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RPBEPBE	DEF2SVP DEF2SVP/W06	-1801.24062833; Eh
	26-Jan-2025	/9c-etjohnphos/9c-etjohnphos-10-ts-c3-c4/9c-etjohnphos-10-ts-c3-c4-opt 9c-etjohnphos-10-ts-c3-c4-opt	Ser, Cher Tian	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RPBEPBE	DEF2SVP DEF2SVP/W06	-1625.49793988; Eh
	26-Jan-2025	/9c-etjohnphos/9c-etjohnphos-09-c3/9c-etjohnphos-09-c3-opt 9c-etjohnphos-09-c3-opt	Ser, Cher Tian	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBEPBE	DEF2SVP DEF2SVP/W06	-1625.54817770; Eh
	26-Jan-2025	/9c-etjohnphos/9c-etjohnphos-11-c4/9c-etjohnphos-11-c4-opt 9c-etjohnphos-11-c4-opt	Ser, Cher Tian	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBEPBE	DEF2SVP DEF2SVP/W06	-1625.52743658; Eh
	26-Jan-2025	/9c-etjohnphos/9c-etjohnphos-12-ts-rxt-t1/9c-etjohnphos-12-ts-rxt-t1-orcasp 9c-etjohnphos-12-ts-rxt-t1-orcasp	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-1799.34307147; Eh
	26-Jan-2025	/9c-etjohnphos/9c-etjohnphos-10-ts-c3-c4/9c-etjohnphos-10-ts-c3-c4-orcasp 9c-etjohnphos-10-ts-c3-c4-orcasp	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-1623.66778861; Eh
	26-Jan-2025	/9c-etjohnphos/9c-etjohnphos-08-c3-boh3/9c-etjohnphos-08-c3-boh3-orcasp 9c-etjohnphos-08-c3-boh3-orcasp	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-1875.66986431; Eh

Results 3081-3090 of 5215 (Search time: 0.005 seconds).