ioChem-BD Browse - Matter Lab: Search

Search

previous
1
...
375
376
377
378
379
380
381
...
522
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	26-Jan-2025	/3t-tbujohnphos/3t-tbujohnphos-55-tw-ref/3t-tbujohnphos-55-tw-ref-opt 3t-tbujohnphos-55-tw-ref-opt	Ser, Cher Tian	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBEPBE	DEF2SVP DEF2SVP/W06	-1473.59334860; Eh
	26-Jan-2025	/3t-tbujohnphos/3t-tbujohnphos-57-koh-ref/3t-tbujohnphos-57-koh-ref-orcasp 3t-tbujohnphos-57-koh-ref-orcasp	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-2071.02297720; Eh
	26-Jan-2025	/3t-tbujohnphos/3t-tbujohnphos-53-ts-ref/3t-tbujohnphos-53-ts-ref-orcasp 3t-tbujohnphos-53-ts-ref-orcasp	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-1702.52241312; Eh
	26-Jan-2025	/3t-tbujohnphos/3t-tbujohnphos-55-tw-ref/3t-tbujohnphos-55-tw-ref-orcasp 3t-tbujohnphos-55-tw-ref-orcasp	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-1471.96955679; Eh
	26-Jan-2025	/3t-tbujohnphos/3t-tbujohnphos-56-oh-ref/3t-tbujohnphos-56-oh-ref-orcasp 3t-tbujohnphos-56-oh-ref-orcasp	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-1471.43390604; Eh
	26-Jan-2025	/3t-tbujohnphos/3t-tbujohnphos-54-cw-ref/3t-tbujohnphos-54-cw-ref-orcasp 3t-tbujohnphos-54-cw-ref-orcasp	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-1471.96974672; Eh
	26-Jan-2025	/3t-tbujohnphos/3t-tbujohnphos-51-tl-ref/3t-tbujohnphos-51-tl-ref-opt 3t-tbujohnphos-51-tl-ref-opt	Ser, Cher Tian	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBEPBE	DEF2SVP DEF2SVP/W06	-2515.25038053; Eh
	26-Jan-2025	/3t-tbujohnphos/3t-tbujohnphos-50-cl-ref/3t-tbujohnphos-50-cl-ref-opt 3t-tbujohnphos-50-cl-ref-opt	Ser, Cher Tian	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBEPBE	DEF2SVP DEF2SVP/W06	-2515.24399829; Eh
	26-Jan-2025	/3t-tbujohnphos/3t-tbujohnphos-53-ts-ref/3t-tbujohnphos-53-ts-ref-opt 3t-tbujohnphos-53-ts-ref-opt	Ser, Cher Tian	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBEPBE	DEF2SVP DEF2SVP/W06	-1704.37898170; Eh
	26-Jan-2025	/3t-tbujohnphos/3t-tbujohnphos-52-cs-ref/3t-tbujohnphos-52-cs-ref-opt 3t-tbujohnphos-52-cs-ref-opt	Ser, Cher Tian	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBEPBE	DEF2SVP DEF2SVP/W06	-1704.36290756; Eh

Results 3771-3780 of 5215 (Search time: 0.005 seconds).