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
University of Copenhagen
Search
Search:
All of Browse
Gemma C. Solomon group
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
...
21
22
23
24
25
26
27
...
30
next
Item hits:
Preview
Issue Date
Title
Author(s)
Program
Calculation type
Method(s)
Basis Set
Energy
Solv.
Vibr.
Orb.
13-Aug-2025
/dft_calculations/electrostatic_field/strong_field moved_-2_0
Bro-Jørgensen, William
-
Single point
DFT
def2-SVP
-989.5292207465; Eh
13-Aug-2025
/dft_calculations/electrostatic_field/no_field moved_-0_235
Bro-Jørgensen, William
-
Single point
DFT
def2-SVP
-989.5319237131; Eh
13-Aug-2025
/dft_calculations/electrostatic_field/no_field moved_-0_529
Bro-Jørgensen, William
-
Single point
DFT
def2-SVP
-989.5282674481; Eh
13-Aug-2025
/dft_calculations/electrostatic_field/no_field moved_-1_26
Bro-Jørgensen, William
-
Single point
DFT
def2-SVP
-989.5207334110; Eh
13-Aug-2025
/dft_calculations/electrostatic_field/weak_field moved_0_5
Bro-Jørgensen, William
-
Single point
DFT
def2-SVP
-989.5156130885; Eh
13-Aug-2025
/dft_calculations/electrostatic_field/strong_field moved_-0_0882
Bro-Jørgensen, William
-
Single point
DFT
def2-SVP
-989.5445446371; Eh
13-Aug-2025
/dft_calculations/electrostatic_field/strong_field moved_-0_824
Bro-Jørgensen, William
-
Single point
DFT
def2-SVP
-989.5362122771; Eh
13-Aug-2025
/dft_calculations/electrostatic_field/strong_field moved_-0_235
Bro-Jørgensen, William
-
Single point
DFT
def2-SVP
-989.5432646342; Eh
13-Aug-2025
/dft_calculations/electrostatic_field/weak_field moved_0_206
Bro-Jørgensen, William
-
Single point
DFT
def2-SVP
-989.5340813647; Eh
13-Aug-2025
/dft_calculations/electrostatic_field/weak_field moved_-1_41
Bro-Jørgensen, William
-
Single point
DFT
def2-SVP
-989.5227027831; Eh
Results 231-240 of 299 (Search time: 0.001 seconds).
Discover
Author
228
Bro-Jørgensen, William
30
Ahmed, Raka
24
Leitherer, Susanne
Subject
94
Molecular electronics
67
Molecular dynamics
50
molecular electronics
45
organic synthesis
45
single molecule
30
Thermal Transport
25
Landauer transmission
9
Machine learning
2
molecular dynamics
1
thermal transport
.
next >
Date issued
33
2024
39
2023
46
2021
Method
139
GGAPBE
58
DFT
43
RPBEPBE
11
RwB97XD
10
RPBE1PBE
4
RM052X
2
RHF
1
RDSDPBEP86-FC
1
RrevTPSSrevTPSS
1
UwB97XD
.
next >
