![Page 1: Peer instruction questions on force fields and energy minimization](https://reader035.vdocuments.us/reader035/viewer/2022081907/54872767b47959dd0c8b53eb/html5/thumbnails/1.jpg)
Hvilken ligning er korrekt for CH4?
A. V = 4kCH rCH − rCH ,e( )2 + 4kHCH θHCH −θHCH ,e( )2
B. V = 4kHH rHH − rHH ,e( )2 + 4kHCH θHCH −θHCH ,e( )2 + 6 qHqHrHH
−AHAH
rHH6 +
BHBH
rHH12
⎛⎝⎜
⎞⎠⎟
C. V = 4kHH rHH − rHH ,e( )2 + 6kHCH θHCH −θHCH ,e( )2 +16 qHqHrHH
−AHAH
rHH6 +
BHBH
rHH12
⎛⎝⎜
⎞⎠⎟
V = ki ri − ri,e( )2i
bonds
∑ + ki θi −θi,e( )2i
angles
∑ + Vi cos φi( )i
somedihedrals
∑ + −AiAj
rij6 +
BiBj
rij12 +
qiqjrij
⎛
⎝⎜⎞
⎠⎟j
atoms
∑i
atoms
∑
![Page 2: Peer instruction questions on force fields and energy minimization](https://reader035.vdocuments.us/reader035/viewer/2022081907/54872767b47959dd0c8b53eb/html5/thumbnails/2.jpg)
Hvilken ligning er korrekt for CH4?
A. V = 4kCH rCH − rCH ,e( )2 + 4kHCH θHCH −θHCH ,e( )2
B. V = 4kHH rHH − rHH ,e( )2 + 4kHCH θHCH −θHCH ,e( )2 + 6 qHqHrHH
−AHAH
rHH6 +
BHBH
rHH12
⎛⎝⎜
⎞⎠⎟
C. V = 4kHH rHH − rHH ,e( )2 + 6kHCH θHCH −θHCH ,e( )2 +16 qHqHrHH
−AHAH
rHH6 +
BHBH
rHH12
⎛⎝⎜
⎞⎠⎟
V = ki ri − ri,e( )2i
bonds
∑ + ki θi −θi,e( )2i
angles
∑ + Vi cos φi( )i
somedihedrals
∑ + −AiAj
rij6 +
BiBj
rij12 +
qiqjrij
⎛
⎝⎜⎞
⎠⎟j
atoms
∑i
atoms
∑
![Page 3: Peer instruction questions on force fields and energy minimization](https://reader035.vdocuments.us/reader035/viewer/2022081907/54872767b47959dd0c8b53eb/html5/thumbnails/3.jpg)
Hvilken ligning er korrekt for H2O2?
A. V = 2kHO rHO − rHO,e( )2 + kOO rOO − rOO,e( )2 + qHqHrHH
−AHAH
rHH6 +
BHBH
rHH12
⎛⎝⎜
⎞⎠⎟+ 2 qHqO
rHO−AHAOrHO6 +
BHBOrHO12
⎛⎝⎜
⎞⎠⎟
B. V = 2kHO rHO − rHO,e( )2 + kOO rOO − rOO,e( )2 + 2kHOH θHOH −θHOH ,e( )2
C. V = 2kHO rHO − rHO,e( )2 + kOO rOO − rOO,e( )2 + 2kHOO θOOH −θOOH ,e( )2 + qHqHrHH−AHAH
rHH6 +
BHBH
rHH12
V = ki ri − ri,e( )2i
bonds
∑ + ki θi −θi,e( )2i
angles
∑ + Vi cos φi( )i
somedihedrals
∑ + −AiAj
rij6 +
BiBj
rij12 +
qiqjrij
⎛
⎝⎜⎞
⎠⎟j
atoms
∑i
atoms
∑
![Page 4: Peer instruction questions on force fields and energy minimization](https://reader035.vdocuments.us/reader035/viewer/2022081907/54872767b47959dd0c8b53eb/html5/thumbnails/4.jpg)
Hvilken ligning er korrekt for H2O2?
A. V = 2kHO rHO − rHO,e( )2 + kOO rOO − rOO,e( )2 + qHqHrHH
−AHAH
rHH6 +
BHBH
rHH12
⎛⎝⎜
⎞⎠⎟+ 2 qHqO
rHO−AHAOrHO6 +
BHBOrHO12
⎛⎝⎜
⎞⎠⎟
B. V = 2kHO rHO − rHO,e( )2 + kOO rOO − rOO,e( )2 + 2kHOH θHOH −θHOH ,e( )2
C. V = 2kHO rHO − rHO,e( )2 + kOO rOO − rOO,e( )2 + 2kHOO θOOH −θOOH ,e( )2 + qHqHrHH−AHAH
rHH6 +
BHBH
rHH12
V = ki ri − ri,e( )2i
bonds
∑ + ki θi −θi,e( )2i
angles
∑ + Vi cos φi( )i
somedihedrals
∑ + −AiAj
rij6 +
BiBj
rij12 +
qiqjrij
⎛
⎝⎜⎞
⎠⎟j
atoms
∑i
atoms
∑
![Page 5: Peer instruction questions on force fields and energy minimization](https://reader035.vdocuments.us/reader035/viewer/2022081907/54872767b47959dd0c8b53eb/html5/thumbnails/5.jpg)
V (R) = 12 k R − Re( )2
A. Re = Rg + k∂V∂R
⎛⎝⎜
⎞⎠⎟ R=Rg
B. Re = Rg −1k
∂V∂R
⎛⎝⎜
⎞⎠⎟ R=Rg
C. Re = Rg − k∂ 2V∂R2
⎛⎝⎜
⎞⎠⎟ R=Rg
Hvilken ligning er korrekt?
![Page 6: Peer instruction questions on force fields and energy minimization](https://reader035.vdocuments.us/reader035/viewer/2022081907/54872767b47959dd0c8b53eb/html5/thumbnails/6.jpg)
V (R) = 12 k R − Re( )2
A. Re = Rg + k∂V∂R
⎛⎝⎜
⎞⎠⎟ R=Rg
B. Re = Rg −1k
∂V∂R
⎛⎝⎜
⎞⎠⎟ R=Rg
C. Re = Rg − k∂ 2V∂R2
⎛⎝⎜
⎞⎠⎟ R=Rg
Hvilken ligning er korrekt?
![Page 7: Peer instruction questions on force fields and energy minimization](https://reader035.vdocuments.us/reader035/viewer/2022081907/54872767b47959dd0c8b53eb/html5/thumbnails/7.jpg)
V (R) = 12 k R − Re( )2 Re = Rg −
1k
∂V∂R
⎛⎝⎜
⎞⎠⎟ R=Rg
Hvilken ligning er korrekt?
A. Re = Rg −∂ 3V∂R3
⎛⎝⎜
⎞⎠⎟ R=Rg
B. Re = Rg +∂ 2V∂R2
⎛⎝⎜
⎞⎠⎟ R=Rg
∂V∂R
⎛⎝⎜
⎞⎠⎟ R=Rg
C. Re = Rg −∂ 2V∂R2
⎛⎝⎜
⎞⎠⎟ R=Rg
−1∂V∂R
⎛⎝⎜
⎞⎠⎟ R=Rg
![Page 8: Peer instruction questions on force fields and energy minimization](https://reader035.vdocuments.us/reader035/viewer/2022081907/54872767b47959dd0c8b53eb/html5/thumbnails/8.jpg)
V (R) = 12 k R − Re( )2 Re = Rg −
1k
∂V∂R
⎛⎝⎜
⎞⎠⎟ R=Rg
Hvilken ligning er korrekt?
A. Re = Rg −∂ 3V∂R3
⎛⎝⎜
⎞⎠⎟ R=Rg
B. Re = Rg +∂ 2V∂R2
⎛⎝⎜
⎞⎠⎟ R=Rg
∂V∂R
⎛⎝⎜
⎞⎠⎟ R=Rg
C. Re = Rg −∂ 2V∂R2
⎛⎝⎜
⎞⎠⎟ R=Rg
−1∂V∂R
⎛⎝⎜
⎞⎠⎟ R=Rg