Skip navigation
ioChem-BD Browse
Browse
Communities
& Collections
Browse Items by:
Issue Date
Author
Title
Subject
Sign on to:
Create module
Browse module
Receive email
updates
Edit Profile
Search on Browse module
Search
Matter Lab
Search
Search:
All of Browse
Matterlab
for
Start a new search
Add filters:
Use filters to refine the search results.
Title
Author
Subject
Date Issued
Calculation type
Program name
Method
Basis
Formula
Equals
Contains
ID
Not Equals
Not Contains
Not ID
previous
1
...
380
381
382
383
384
385
386
...
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-19-t3/3t-tbujohnphos-19-t3-orcasp 3t-tbujohnphos-19-t3-orcasp
Ser, Cher Tian
Orca; 5.0.3; RELEASE
Single point
-
def2-QZVPP; def2-QZVPP/C
-1780.38427189; Eh
26-Jan-2025
/3t-tbujohnphos/3t-tbujohnphos-14-ts-t1-t2/3t-tbujohnphos-14-ts-t1-t2-opt 3t-tbujohnphos-14-ts-t1-t2-opt
Ser, Cher Tian
Gaussian; 16; ES64L-G16RevC.01
Geometry optimization Minimum
RPBEPBE
DEF2SVP DEF2SVP/W06
-1958.15877026; Eh
26-Jan-2025
/3t-tbujohnphos/3t-tbujohnphos-17-ts-t2-t3/3t-tbujohnphos-17-ts-t2-t3-opt 3t-tbujohnphos-17-ts-t2-t3-opt
Ser, Cher Tian
Gaussian; 16; ES64L-G16RevC.01
Geometry optimization Minimum
RPBEPBE
DEF2SVP DEF2SVP/W06
-2034.47009599; Eh
26-Jan-2025
/3t-tbujohnphos/3t-tbujohnphos-16-t2-h2o/3t-tbujohnphos-16-t2-h2o-opt 3t-tbujohnphos-16-t2-h2o-opt
Ser, Cher Tian
Gaussian; 16; ES64L-G16RevC.01
Geometry optimization Minimum
RPBEPBE
DEF2SVP DEF2SVP/W06
-2034.49330713; Eh
26-Jan-2025
/3t-tbujohnphos/3t-tbujohnphos-15-t2/3t-tbujohnphos-15-t2-opt 3t-tbujohnphos-15-t2-opt
Ser, Cher Tian
Gaussian; 16; ES64L-G16RevC.01
Geometry optimization Minimum
RPBEPBE
DEF2SVP DEF2SVP/W06
-1958.18817334; Eh
26-Jan-2025
/3t-tbujohnphos/3t-tbujohnphos-14-ts-t1-t2/3t-tbujohnphos-14-ts-t1-t2-orcasp 3t-tbujohnphos-14-ts-t1-t2-orcasp
Ser, Cher Tian
Orca; 5.0.3; RELEASE
Single point
-
def2-QZVPP; def2-QZVPP/C
-1956.01623623; Eh
26-Jan-2025
/3t-tbujohnphos/3t-tbujohnphos-17-ts-t2-t3/3t-tbujohnphos-17-ts-t2-t3-orcasp 3t-tbujohnphos-17-ts-t2-t3-orcasp
Ser, Cher Tian
Orca; 5.0.3; RELEASE
Single point
-
def2-QZVPP; def2-QZVPP/C
-2032.29185413; Eh
26-Jan-2025
/3t-tbujohnphos/3t-tbujohnphos-16-t2-h2o/3t-tbujohnphos-16-t2-h2o-orcasp 3t-tbujohnphos-16-t2-h2o-orcasp
Ser, Cher Tian
Orca; 5.0.3; RELEASE
Single point
-
def2-QZVPP; def2-QZVPP/C
-2032.30172999; Eh
26-Jan-2025
/3t-tbujohnphos/3t-tbujohnphos-15-t2/3t-tbujohnphos-15-t2-orcasp 3t-tbujohnphos-15-t2-orcasp
Ser, Cher Tian
Orca; 5.0.3; RELEASE
Single point
-
def2-QZVPP; def2-QZVPP/C
-1956.05248705; Eh
26-Jan-2025
/3t-tbujohnphos/3t-tbujohnphos-13-t1/3t-tbujohnphos-13-t1-orcasp 3t-tbujohnphos-13-t1-orcasp
Ser, Cher Tian
Orca; 5.0.3; RELEASE
Single point
-
def2-QZVPP; def2-QZVPP/C
-1956.03225979; Eh
Results 3821-3830 of 5215 (Search time: 0.003 seconds).
Discover
Author
5064
Ser, Cher Tian
92
Pires-Valverde, Danillo
54
Garcia, Sergio
Method
2532
RPBEPBE
39
DFT
27
ADC(2)
21
CASPT2
20
CASSCF
15
TDDFT
12
RPBE1PBE
12
TDA-FC
1
HF