ioChem-BD Browse - Matter Lab: Search

Search

previous
1
...
540
541
542
543
544
545
546
...
583
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	5-May-2025	/3m-cyjohnphos/3m-cyjohnphos-6ome14-ts-t1-t2/3m-cyjohnphos-6ome14-ts-t1-t2-orcasp 3m_cyjohnphos_6ome14_ts_t1_t2	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-2224.62587913; Eh
	5-May-2025	/3m-cyjohnphos/3m-cyjohnphos-6ome16-t2-h2o/3m-cyjohnphos-6ome16-t2-h2o-orcasp 3m_cyjohnphos_6ome16_t2_h2o	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-2300.91942260; Eh
	5-May-2025	/3m-cyjohnphos/3m-cyjohnphos-6ome15-t2/3m-cyjohnphos-6ome15-t2-orcasp 3m_cyjohnphos_6ome15_t2	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-2224.66756092; Eh
	5-May-2025	/3m-cyjohnphos/3m-cyjohnphos-6ome13-t1/3m-cyjohnphos-6ome13-t1-orcasp 3m_cyjohnphos_6ome13_t1	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-2224.64508421; Eh
	5-May-2025	/3m-cyjohnphos/3m-cyjohnphos-6ome12-ts-rxt-t1/3m-cyjohnphos-6ome12-ts-rxt-t1-opt 3m_cyjohnphos_6ome12_ts_rxt_t1	Ser, Cher Tian	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RPBEPBE	DEF2SVP DEF2SVP/W06	-2227.04432298; Eh
	5-May-2025	/3m-cyjohnphos/3m-cyjohnphos-6ome10-ts-c3-c4/3m-cyjohnphos-6ome10-ts-c3-c4-opt 3m_cyjohnphos_6ome10_ts_c3_c4	Ser, Cher Tian	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RPBEPBE	DEF2SVP DEF2SVP/W06	-2051.30060346; Eh
	5-May-2025	/3m-cyjohnphos/3m-cyjohnphos-6ome11-c4/3m-cyjohnphos-6ome11-c4-opt 3m_cyjohnphos_6ome11_c4	Ser, Cher Tian	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBEPBE	DEF2SVP DEF2SVP/W06	-2051.32722840; Eh
	5-May-2025	/3m-cyjohnphos/3m-cyjohnphos-6ome13-t1/3m-cyjohnphos-6ome13-t1-opt 3m_cyjohnphos_6ome13_t1	Ser, Cher Tian	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBEPBE	DEF2SVP DEF2SVP/W06	-2227.06188210; Eh
	5-May-2025	/3m-cyjohnphos/3m-cyjohnphos-6ome09-c3/3m-cyjohnphos-6ome09-c3-opt 3m_cyjohnphos_6ome09_c3	Ser, Cher Tian	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBEPBE	DEF2SVP DEF2SVP/W06	-2051.34891035; Eh
	5-May-2025	/3m-cyjohnphos/3m-cyjohnphos-6ome12-ts-rxt-t1/3m-cyjohnphos-6ome12-ts-rxt-t1-orcasp 3m_cyjohnphos_6ome12_ts_rxt_t1	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-2224.63311402; Eh

Results 5421-5430 of 5823 (Search time: 0.006 seconds).