ioChem-BD Browse - Matter Lab: Search

Search

previous
1
...
545
546
547
548
549
550
551
...
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-6cne06-ec2-h2o/3m-cyjohnphos-6cne06-ec2-h2o-opt 3m_cyjohnphos_6cne06_ec2_h2o	Ser, Cher Tian	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBEPBE	DEF2SVP DEF2SVP/W06	-2515.36801430; Eh
	5-May-2025	/3m-cyjohnphos/3m-cyjohnphos-6cne03-ec1/3m-cyjohnphos-6cne03-ec1-opt 3m_cyjohnphos_6cne03_ec1	Ser, Cher Tian	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBEPBE	DEF2SVP DEF2SVP/W06	-2439.01588834; Eh
	5-May-2025	/3m-cyjohnphos/3m-cyjohnphos-6cne05-ec2/3m-cyjohnphos-6cne05-ec2-opt 3m_cyjohnphos_6cne05_ec2	Ser, Cher Tian	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBEPBE	DEF2SVP DEF2SVP/W06	-2439.06478220; Eh
	5-May-2025	/3m-cyjohnphos/3m-cyjohnphos-6cne02-ts-ecrxt-ec1/3m-cyjohnphos-6cne02-ts-ecrxt-ec1-orcasp 3m_cyjohnphos_6cne02_ts_ecrxt_ec1	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-2436.27044421; Eh
	5-May-2025	/3m-cyjohnphos/3m-cyjohnphos-6cne04-ts-ec1-ec2/3m-cyjohnphos-6cne04-ts-ec1-ec2-orcasp 3m_cyjohnphos_6cne04_ts_ec1_ec2	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-2436.26689020; Eh
	5-May-2025	/3m-cyjohnphos/3m-cyjohnphos-6cne06-ec2-h2o/3m-cyjohnphos-6cne06-ec2-h2o-orcasp 3m_cyjohnphos_6cne06_ec2_h2o	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-2512.60533321; Eh
	5-May-2025	/3m-cyjohnphos/3m-cyjohnphos-6cne03-ec1/3m-cyjohnphos-6cne03-ec1-orcasp 3m_cyjohnphos_6cne03_ec1	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-2436.27738337; Eh
	5-May-2025	/3m-cyjohnphos/3m-cyjohnphos-6cne05-ec2/3m-cyjohnphos-6cne05-ec2-orcasp 3m_cyjohnphos_6cne05_ec2	Ser, Cher Tian	Orca; 5.0.3; RELEASE	Single point	-	def2-QZVPP; def2-QZVPP/C	-2436.34750530; Eh
	5-May-2025	/3m-cyjohnphos/3m-cyjohnphos-6cne02-ts-ecrxt-ec1/3m-cyjohnphos-6cne02-ts-ecrxt-ec1-opt 3m_cyjohnphos_6cne02_ts_ecrxt_ec1	Ser, Cher Tian	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RPBEPBE	DEF2SVP DEF2SVP/W06	-2438.99976843; Eh
	5-May-2025	/3m-cyjohnphos/3m-cyjohnphos-6cn20-ts-t3-t4/3m-cyjohnphos-6cn20-ts-t3-t4-opt 3m_cyjohnphos_6cn20_ts_t3_t4	Ser, Cher Tian	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RPBEPBE	DEF2SVP DEF2SVP/W06	-2029.05694471; Eh

Results 5471-5480 of 5823 (Search time: 0.003 seconds).