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some     bonds                         angles                             dihedrals                                       ...
some     bonds                         angles                             dihedrals                                       ...
some       bonds                         angles                          dihedrals                    atoms atoms ⎛ Ai A j...
some       bonds                         angles                          dihedrals                    atoms atoms ⎛ Ai A j...
V (R) = k ( R − Re )                1                2                2Hvilken	  ligning	  er	  korrekt?	                 ...
V (R) = k ( R − Re )                1                2                2Hvilken	  ligning	  er	  korrekt?	                 ...
1 ⎛ ∂V ⎞V (R) = k ( R − Re )                          2        1                            Re = Rg − ⎜      ⎟        2   ...
1 ⎛ ∂V ⎞V (R) = k ( R − Re )                          2        1                            Re = Rg − ⎜      ⎟        2   ...
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Peer instruction questions on force fields and energy minimization

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Peer instruction questions on force fields and energy minimization

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Peer instruction questions on force fields and energy minimization

  1. 1. some bonds angles dihedrals ⎛ Ai A j Bi B j qi q j ⎞ atoms atoms ∑ k (r − r ) ∑ k (θ − θ i,e ) + ∑ Vi cos (φi ) + ∑ ∑ ⎜ − r 6 + r12 + r ⎟ 2 2V= i i i,e + i i i i i i j ⎝ ij ij ij ⎠ Hvilken  ligning  er  korrekt  for  CH4?  A. V = 4kCH ( rCH − rCH ,e ) + 4kHCH (θ HCH − θ HCH ,e ) 2 2 ⎛ qH qH AH AH BH BH ⎞B. V = 4kHH ( rHH − rHH ,e ) + 4kHCH (θ HCH − θ HCH ,e ) 2 2 + 6⎜ − 6 + 12 ⎟ ⎝ rHH rHH rHH ⎠ ⎛ qH qH AH AH BH BH ⎞C. V = 4kHH ( rHH − rHH ,e ) + 6kHCH (θ HCH − θ HCH ,e ) 2 2 + 16 ⎜ − 6 + 12 ⎟ ⎝ rHH rHH rHH ⎠
  2. 2. some bonds angles dihedrals ⎛ Ai A j Bi B j qi q j ⎞ atoms atoms ∑ k (r − r ) ∑ k (θ − θ i,e ) + ∑ Vi cos (φi ) + ∑ ∑ ⎜ − r 6 + r12 + r ⎟ 2 2V= i i i,e + i i i i i i j ⎝ ij ij ij ⎠ Hvilken  ligning  er  korrekt  for  CH4?  A. V = 4kCH ( rCH − rCH ,e ) + 4kHCH (θ HCH − θ HCH ,e ) 2 2 ⎛ qH qH AH AH BH BH ⎞B. V = 4kHH ( rHH − rHH ,e ) + 4kHCH (θ HCH − θ HCH ,e ) 2 2 + 6⎜ − 6 + 12 ⎟ ⎝ rHH rHH rHH ⎠ ⎛ qH qH AH AH BH BH ⎞C. V = 4kHH ( rHH − rHH ,e ) + 6kHCH (θ HCH − θ HCH ,e ) 2 2 + 16 ⎜ − 6 + 12 ⎟ ⎝ rHH rHH rHH ⎠
  3. 3. some bonds angles dihedrals atoms atoms ⎛ Ai A j Bi B j qi q j ⎞ ∑ k (r − r ) ∑ k (θ − θ i,e ) + ∑ Vi cos (φi ) + ∑ ∑ ⎜ − r 6 + r12 + r ⎟ 2 2 V= i i i,e + i i i i i i j ⎝ ij ij ij ⎠ Hvilken  ligning  er  korrekt  for  H2O2?   ⎛q q B B ⎞ ⎛q q B B ⎞A. V = 2kHO ( rHO − rHO,e ) + kOO ( rOO − rOO,e ) + ⎜ H H − H6 H + H12 H ⎟ + 2 ⎜ H O − H6 O + H12 O ⎟ 2 2 A A A A ⎝ rHH rHH rHH ⎠ ⎝ rHO rHO rHO ⎠B. V = 2kHO ( rHO − rHO,e ) + kOO ( rOO − rOO,e ) + 2kHOH (θ HOH − θ HOH ,e ) 2 2 2C. V = 2kHO ( rHO − rHO,e ) + kOO ( rOO − rOO,e ) + 2kHOO (θOOH − θOOH ,e ) + 2 2 2 qH qH AH AH BH BH − 6 + 12 rHH rHH rHH
  4. 4. some bonds angles dihedrals atoms atoms ⎛ Ai A j Bi B j qi q j ⎞ ∑ k (r − r ) ∑ k (θ − θ i,e ) + ∑ Vi cos (φi ) + ∑ ∑ ⎜ − r 6 + r12 + r ⎟ 2 2 V= i i i,e + i i i i i i j ⎝ ij ij ij ⎠ Hvilken  ligning  er  korrekt  for  H2O2?   ⎛q q B B ⎞ ⎛q q B B ⎞A. V = 2kHO ( rHO − rHO,e ) + kOO ( rOO − rOO,e ) + ⎜ H H − H6 H + H12 H ⎟ + 2 ⎜ H O − H6 O + H12 O ⎟ 2 2 A A A A ⎝ rHH rHH rHH ⎠ ⎝ rHO rHO rHO ⎠B. V = 2kHO ( rHO − rHO,e ) + kOO ( rOO − rOO,e ) + 2kHOH (θ HOH − θ HOH ,e ) 2 2 2C. V = 2kHO ( rHO − rHO,e ) + kOO ( rOO − rOO,e ) + 2kHOO (θOOH − θOOH ,e ) + 2 2 2 qH qH AH AH BH BH − 6 + 12 rHH rHH rHH
  5. 5. V (R) = k ( R − Re ) 1 2 2Hvilken  ligning  er  korrekt?   ⎛ ∂V ⎞ A. Re = Rg + k ⎜ ⎝ ∂ R ⎟ R= Rg ⎠ 1 ⎛ ∂V ⎞ B. Re = Rg − ⎜ ⎟ k ⎝ ∂ R ⎠ R= Rg ⎛ ∂ 2V ⎞ C. Re = Rg − k ⎜ 2 ⎟ ⎝ ∂ R ⎠ R= Rg
  6. 6. V (R) = k ( R − Re ) 1 2 2Hvilken  ligning  er  korrekt?   ⎛ ∂V ⎞ A. Re = Rg + k ⎜ ⎝ ∂ R ⎟ R= Rg ⎠ 1 ⎛ ∂V ⎞ B. Re = Rg − ⎜ ⎟ k ⎝ ∂ R ⎠ R= Rg ⎛ ∂ 2V ⎞ C. Re = Rg − k ⎜ 2 ⎟ ⎝ ∂ R ⎠ R= Rg
  7. 7. 1 ⎛ ∂V ⎞V (R) = k ( R − Re ) 2 1 Re = Rg − ⎜ ⎟ 2 k ⎝ ∂ R ⎠ R= Rg Hvilken  ligning  er  korrekt?   ⎛ ∂ 3V ⎞ A. Re = Rg − ⎜ 3 ⎟ ⎝ ∂ R ⎠ R= Rg ⎛ ∂ 2V ⎞ ⎛ ∂V ⎞ B. Re = Rg + ⎜ 2 ⎟ ⎜ ⎟ ⎝ ∂ R ⎠ R= Rg ⎝ ∂ R ⎠ R= Rg −1 ⎛∂ V⎞ 2 ⎛ ∂V ⎞ C. Re = Rg − ⎜ 2 ⎟ ⎜ ⎟ ⎝ ∂ R ⎠ R= Rg ⎝ ∂ R ⎠ R= Rg
  8. 8. 1 ⎛ ∂V ⎞V (R) = k ( R − Re ) 2 1 Re = Rg − ⎜ ⎟ 2 k ⎝ ∂ R ⎠ R= Rg Hvilken  ligning  er  korrekt?   ⎛ ∂ 3V ⎞ A. Re = Rg − ⎜ 3 ⎟ ⎝ ∂ R ⎠ R= Rg ⎛ ∂ 2V ⎞ ⎛ ∂V ⎞ B. Re = Rg + ⎜ 2 ⎟ ⎜ ⎟ ⎝ ∂ R ⎠ R= Rg ⎝ ∂ R ⎠ R= Rg −1 ⎛∂ V⎞ 2 ⎛ ∂V ⎞ C. Re = Rg − ⎜ 2 ⎟ ⎜ ⎟ ⎝ ∂ R ⎠ R= Rg ⎝ ∂ R ⎠ R= Rg

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