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
...
333
334
335
336
337
338
339
...
522
next
Item hits:
Preview
Issue Date
Title
Author(s)
Program
Calculation type
Method(s)
Basis Set
Energy
Solv.
Vibr.
Orb.
26-Jan-2025
/3y-me4tbuxphos/3y-me4tbuxphos-25-ts-t5-t6/3y-me4tbuxphos-25-ts-t5-t6-orcasp 3y-me4tbuxphos-25-ts-t5-t6-orcasp
Ser, Cher Tian
Orca; 5.0.3; RELEASE
Single point
-
def2-QZVPP; def2-QZVPP/C
-2541.52098176; Eh
26-Jan-2025
/3y-me4tbuxphos/3y-me4tbuxphos-26-t6/3y-me4tbuxphos-26-t6-orcasp 3y-me4tbuxphos-26-t6-orcasp
Ser, Cher Tian
Orca; 5.0.3; RELEASE
Single point
-
def2-QZVPP; def2-QZVPP/C
-2541.56214551; Eh
26-Jan-2025
/3y-me4tbuxphos/3y-me4tbuxphos-28-xa/3y-me4tbuxphos-28-xa-orcasp 3y-me4tbuxphos-28-xa-orcasp
Ser, Cher Tian
Orca; 5.0.3; RELEASE
Single point
-
def2-QZVPP; def2-QZVPP/C
-2213.38793249; Eh
26-Jan-2025
/3y-me4tbuxphos/3y-me4tbuxphos-23-ts-c5-c6/3y-me4tbuxphos-23-ts-c5-c6-opt 3y-me4tbuxphos-23-ts-c5-c6-opt
Ser, Cher Tian
Gaussian; 16; ES64L-G16RevC.01
Geometry optimization TS
RPBEPBE
DEF2SVP DEF2SVP/W06
-2544.46793630; Eh
26-Jan-2025
/3y-me4tbuxphos/3y-me4tbuxphos-24-t5/3y-me4tbuxphos-24-t5-opt 3y-me4tbuxphos-24-t5-opt
Ser, Cher Tian
Gaussian; 16; ES64L-G16RevC.01
Geometry optimization Minimum
RPBEPBE
DEF2SVP DEF2SVP/W06
-2544.49183979; Eh
26-Jan-2025
/3y-me4tbuxphos/3y-me4tbuxphos-22-c5/3y-me4tbuxphos-22-c5-opt 3y-me4tbuxphos-22-c5-opt
Ser, Cher Tian
Gaussian; 16; ES64L-G16RevC.01
Geometry optimization Minimum
RPBEPBE
DEF2SVP DEF2SVP/W06
-2544.51639871; Eh
26-Jan-2025
/3y-me4tbuxphos/3y-me4tbuxphos-21-t4/3y-me4tbuxphos-21-t4-opt 3y-me4tbuxphos-21-t4-opt
Ser, Cher Tian
Gaussian; 16; ES64L-G16RevC.01
Geometry optimization Minimum
RPBEPBE
DEF2SVP DEF2SVP/W06
-2292.45539841; Eh
26-Jan-2025
/3y-me4tbuxphos/3y-me4tbuxphos-23-ts-c5-c6/3y-me4tbuxphos-23-ts-c5-c6-orcasp 3y-me4tbuxphos-23-ts-c5-c6-orcasp
Ser, Cher Tian
Orca; 5.0.3; RELEASE
Single point
-
def2-QZVPP; def2-QZVPP/C
-2541.51129634; Eh
26-Jan-2025
/3y-me4tbuxphos/3y-me4tbuxphos-20-ts-t3-t4/3y-me4tbuxphos-20-ts-t3-t4-orcasp 3y-me4tbuxphos-20-ts-t3-t4-orcasp
Ser, Cher Tian
Orca; 5.0.3; RELEASE
Single point
-
def2-QZVPP; def2-QZVPP/C
-2289.60592965; Eh
26-Jan-2025
/3y-me4tbuxphos/3y-me4tbuxphos-24-t5/3y-me4tbuxphos-24-t5-orcasp 3y-me4tbuxphos-24-t5-orcasp
Ser, Cher Tian
Orca; 5.0.3; RELEASE
Single point
-
def2-QZVPP; def2-QZVPP/C
-2541.55337753; Eh
Results 3351-3360 of 5215 (Search time: 0.004 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