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
...
425
426
427
428
429
430
431
...
522
next
Item hits:
Preview
Issue Date
Title
Author(s)
Program
Calculation type
Method(s)
Basis Set
Energy
Solv.
Vibr.
Orb.
26-Jan-2025
/3m-cyjohnphos/3m-cyjohnphos-21-t4/3m-cyjohnphos-21-t4-orcasp 3m-cyjohnphos-21-t4-orcasp
Ser, Cher Tian
Orca; 5.0.3; RELEASE
Single point
-
def2-QZVPP; def2-QZVPP/C
-1934.76837191; Eh
26-Jan-2025
/3m-cyjohnphos/3m-cyjohnphos-17-ts-t2-t3/3m-cyjohnphos-17-ts-t2-t3-opt 3m-cyjohnphos-17-ts-t2-t3-opt
Ser, Cher Tian
Gaussian; 16; ES64L-G16RevC.01
Geometry optimization TS
RPBEPBE
DEF2SVP DEF2SVP/W06
-2189.04311392; Eh
26-Jan-2025
/3m-cyjohnphos/3m-cyjohnphos-20-ts-t3-t4/3m-cyjohnphos-20-ts-t3-t4-opt 3m-cyjohnphos-20-ts-t3-t4-opt
Ser, Cher Tian
Gaussian; 16; ES64L-G16RevC.01
Geometry optimization TS
RPBEPBE
DEF2SVP DEF2SVP/W06
-1936.97966375; Eh
26-Jan-2025
/3m-cyjohnphos/3m-cyjohnphos-18-t3-boh3/3m-cyjohnphos-18-t3-boh3-opt 3m-cyjohnphos-18-t3-boh3-opt
Ser, Cher Tian
Gaussian; 16; ES64L-G16RevC.01
Geometry optimization Minimum
RPBEPBE
DEF2SVP DEF2SVP/W06
-2189.07354977; Eh
26-Jan-2025
/3m-cyjohnphos/3m-cyjohnphos-19-t3/3m-cyjohnphos-19-t3-opt 3m-cyjohnphos-19-t3-opt
Ser, Cher Tian
Gaussian; 16; ES64L-G16RevC.01
Geometry optimization Minimum
RPBEPBE
DEF2SVP DEF2SVP/W06
-1937.00690427; Eh
26-Jan-2025
/3m-cyjohnphos/3m-cyjohnphos-17-ts-t2-t3/3m-cyjohnphos-17-ts-t2-t3-orcasp 3m-cyjohnphos-17-ts-t2-t3-orcasp
Ser, Cher Tian
Orca; 5.0.3; RELEASE
Single point
-
def2-QZVPP; def2-QZVPP/C
-2186.67105218; Eh
26-Jan-2025
/3m-cyjohnphos/3m-cyjohnphos-20-ts-t3-t4/3m-cyjohnphos-20-ts-t3-t4-orcasp 3m-cyjohnphos-20-ts-t3-t4-orcasp
Ser, Cher Tian
Orca; 5.0.3; RELEASE
Single point
-
def2-QZVPP; def2-QZVPP/C
-1934.72646071; Eh
26-Jan-2025
/3m-cyjohnphos/3m-cyjohnphos-16-t2-h2o/3m-cyjohnphos-16-t2-h2o-orcasp 3m-cyjohnphos-16-t2-h2o-orcasp
Ser, Cher Tian
Orca; 5.0.3; RELEASE
Single point
-
def2-QZVPP; def2-QZVPP/C
-2186.69255767; Eh
26-Jan-2025
/3m-cyjohnphos/3m-cyjohnphos-18-t3-boh3/3m-cyjohnphos-18-t3-boh3-orcasp 3m-cyjohnphos-18-t3-boh3-orcasp
Ser, Cher Tian
Orca; 5.0.3; RELEASE
Single point
-
def2-QZVPP; def2-QZVPP/C
-2186.70412515; Eh
26-Jan-2025
/3m-cyjohnphos/3m-cyjohnphos-19-t3/3m-cyjohnphos-19-t3-orcasp 3m-cyjohnphos-19-t3-orcasp
Ser, Cher Tian
Orca; 5.0.3; RELEASE
Single point
-
def2-QZVPP; def2-QZVPP/C
-1934.77006010; Eh
Results 4271-4280 of 5215 (Search time: 0.006 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