Mecánica Molecular y Campos de Fuerza

%&
%
"
"
"'
"
"!
"
! "
" "'
"
(
) % "'
* ' +
"
+
"
%& ! '
"
"
"
"
"
!
" "
"
"
'
# !
! "
,-.
&
"'
"
"' +
"
"
"
"'
"
)
,-.
% "
)
"
&
"
"% "
"'
"
"
"
%
"'
!
"
&
"
)
"
"
"
"
"
+
"
9:
"
!
"
2
"
"
5:
/
# !
"
"
2
"
,:
"
" "
"
"
"
+
)
"
.
"4
1
"
"
"*
9
"
"
"
! "
98
"
"
"
""
!
'
8
"
"
"'
*
# !
"% "
+
" +
"
6
"
"
"
"% "
"'
"
)
,--.
5 !
""
" "
%
"
! "
3
%
"'
"
)
"
'
"
"' +
"
"
)
2
% "
)
"
"
1
"'
"
""
" "
$
# !
"
"
+
# ;
4
(
! "
# !
0
! "
# !
7
"
= "
"
"
"
)
,
"
)
"
)
9
"
9
"
,
)
,
;
" )
" )
' @'
"
.
2' '
2%' %'
.
9
%
7
9
"
"
" >
"
6, "
.
*
! "
"
5: ' -.
)
,
" 6→ C' : → ∝ D
$
<
# !
" )
"
5: ' --.
! "
"
)
,
?
# !
" )
5: ' ---.
"
"
" 6→ ∝' :B
""
"
"
#
"
"
!
:+ !
! "
A
# !
! "
)
%
"
,-.
"+
""
""
# ;
#!
"
>
8
"
%
"
#!
E +
!
"
" %
"
"
"
%
3" "
C
# !
)
"
%
D
"
+
)
,
"
"
"
".
G
:
E
"
F
3" "
G
%
E
"G
! "
# !
! "
# !
$
)
:&
"
,--.
9
# ;
9J
D
"
H
H
"
"
"
"
"
"
"
"
"
2
(
"
"
:$
:*
"
&
'
"
@'
%
)
"
' ! >
K, "
"
,
"
9#
2
9L "
" "
"
>
"
9 " %
)
"+ "
9
"
&
"
HI IH
! "
"
"
"
".
"
*
:
" >
,-.
")
"
"
"
" +
"
)
"
" +
9
)
! "
"
" "
"
"
%
$
)
9
"
: "
2
L
)
I
"
(
"
' "
" >
K
>
=:M
"
)
"
9
"
:
>
"
"
)
""
%
+
!
D
"+
"
"
& "
"
"
" "
"!
=
""
"
+
)
"
"
>
"
B:
"
"
"
"+
"'
@
"
(
"
+
"
"
"
"
" "
O'
"' " "
"
"
N
"
"
"
"
"'
"
"
"
"
2
"
%
"
%
"
"
'
N
"
"
"'
"
%
P:
"
P:
"
P :!
O
P:
P:H
"
"
"
N
! "
# !
<
"
!
%
"'
O
"
,--.
D
", "
"'
.
"
"
)
"
"
7
# !
)
"
"
"'
%
"
2
! "
,-.
"
""
"
N
:
"
"
2C
B I B K, 2.
0
# !
"
NH
2
2
! "
K:
"
"
"
H
"
K
9
/
# !
,---.
"
,--.
"
95
)
"
*
# !
".'
"
.
"
"
"
",
"
"
"
"'
"
! "
# !
?
"
:
+
"
%
""
,-.
"
)
:
)
:
:!
:
:
" "
B:
D
Q :
P:
Q:
)
)
Q :
D
")
"
D
" I* ,
P:
"
"
D
P:
J
" ,%
9
98
9@
'
",
"
)
" "
B :!
B:
J
"
P:
P:
+
)
)
"
"
"
"
P:
P:
+
"
P:
"
"
P:
L
" "
"
"!
"
"
> .
:
B :!
O
P:
%
P:
H
A
# !
"
"D ν,6.
"'
3
I%
%
%
,--.
)
"Q
IL
,---.D L " "
"
"
"
:!
L
"
LD
! "
"
+
""
:
"
"
"
"
P:
P:
"
"
P:
B :!
D
"
! "
"'
"
,---.D L " "
# !
"
$C
"' $
+
".
$%
"
"
I$.
" ,) 2
",
I*.
I/.
'/
'*
'$
96
9
9-
'
"
")
"
"
"
"
"
"
""
"
"'
"
"
"
"
"'
! "
"
"% +
"
"
% +
"
N
"
)
"
)
N#
"
N
")
"
"
"
"
"
L
.
"
"
"
K
"
"
"
2
"
#
)
N5
"
"
"
&
)
")
"
6
J
@
O
N
"
1
+
& 4 +
"
! "
)
# !
$*
$C
$C
$C
$C
$C
$C
$C
$C
$C
$C
$C
$C
$C
"
"
)
'
"'
" ,"
,@.D
)
"
"
"
!
"
D
"
! "
"
)
"
N
J
,-@.D
$
# !
"'
"
""
"
"
"
"
"
"
"
"
"
"
"
"
"
$
$
$
$
$
$
$
$
$
*
$
$
$
5
$$
"'
" %
"
# !
&
&
'
"
L:6'
"
%
,%
'
'
"0
"0R7
0
"
.
0R7
0 H"
"
" 0R7 ,J65.
"
"
H-
$#
)
"
0 ;3 #
H ,H- .
"
0 ;3 #IH
H ,H- .
" 0 ;3 " %" ,J65.
! "
# !
$/
"
,@.D
= "
"
"
"
"' $
!
J
=
"
=
%
H*
"" B $ C
H
"
"(
"
"
"
"H" %
2
*
*
J
)
"
"
! "
"
,@-.D
")
")
# !
∑
=∑
+
∑
θ
+
∑
ω

+ ∑
< 

+
"" B 0 C*
"
"
+
,@-.D
+
−
")
:
+
%
"
−
+
+
"
""
)
ε



! "
"
"
,@-.D
")
")
# !
,@-.D
")
# !
")
"
! "
"
J "
)
""
,@-.D
")
"
# !
")
J "
"
$7
"' *
$<
"' /
"
ω −δ
5
! "
"
" )"
"
$0
"' $
"'
"
"
θ −θ
−
+
")
$?
"' 0
"
"
)
"
"
L
"
M
ω
γ
! "
# !
$A
! "
# !
*C
"
,@-.D
")
")
"' 7
"
,@-.D
")
"
")
"' <
#
$
"
"
5
>
%
"
"
%
!
"
! "
"
,@-.D
")
")
# !
*
! "
"' ?
"
9J
"
,@-.D
9= "
"
"
"
!
")
")
"
")
")
# !
**
! "
:&
"' C
(
∑
=
=
IW
" 1 $I C4
"
U
:
U
# !
*/
D
−
+
∑
θ
θ −θ
B C'A0< &
B C/'0*V
θ
!"# $
%!!
%!&" '
:
U
B C'A0< &
B ?CV
HSSS B '?0T
IHSSS B ?CV
&
:
U
"!
"' A
" ,-6.
θ
5
*$
"
! "
"
,@-.D
# !
'( ((((() * +
"B? /00C/S CI< K 3
"B$ ?$0A?S CI7 K 3
"BC
@ ;BC
:
" HBC
:
"
"BC
"
! "
# !
*0
&
:
U
',-. /)-/)0 *
"B? /0/AAS CI< K 3
"B <* 0/? K 3
"BC
@ ;BC
:
" HBC
:
"
"BC
! "
+
# !
*7
"
,@--.D
)
"
"
=∑
=
=
∑
+
∑
θ
+
∑
ω

+ ∑
< 

'
"' +
""
+
+
+
(
+
+
−
−
ω −δ
+
ε
%
"' %
"
")
")
)
"
)
"
"
! "
"
'
"
% "
*<
# !
!%
9
>
,@.D
")
*?
# !
'$
&
1
"
"
)
)
2
Z 1
"
"
"
(
! O
%
>
+
"
" F
Z8
" @
Z :"
) "
L:6
Z
! " "
"
(
"4 5
"
" %
CI CC
"
"(
"
"
""
A7CI
Z :
Z
Z #
Z
"
"
"
" 2
Z J
Z [ CC
Z
" "
Z :)
"
Z
"
"
11
"4 8 " "' ) " "
"1
"
"
)
,@-.D
=
)
N= "
"
4=
2
&
A?CI
",
"
"
" ,
"
)
".
' I
)
'!
"
"
"
"
" "
+
+
9
!
# !
/$
'$
)
"
"
/C
"
"
9
"
"(
)
9 J
"
9
" %
9
9
"
! "
+
9 5
,@-.D
# !
"
"
"
)
"
"
9
"
&
9 5
9
"
" 2
>
"
D
"
"
1113
! "
'
,
" 2
.
Y.
"
)
"'Y
&
2
"
"
"
*A
# !
"
"
"
"
"
! "
N
)
N
N: !
N
"
"
"
,@.D
Z
Z
:
2
L "
>
4= "
)
'$
" "
"' %
"



5
I
I
9
"
"
θ −θ
"
9
= "
)
,@--.D
9
"
)
D :"
"
98
"D 6X'
"
9! OD 6X
"
" "
9
"D ∆8 " !
' 6 #'Y
9
" %
! "
>
"
−
+
9
"
# !
/
)
% &
"
",
.
! "
"
"
)
= "
"
9
)
"
L- P'
9 #
9
)
)
= "
"
)
H
(
# !
!
$ "
9 L " "D :"
9 5 "D
!
9
"D
9
U
"
"
"
"
'
"
"
9
"
'
"
'
'
)
)
!
H 6
9 L " "D ?
*
(
' 6(' 5 '
(
# !
" $0 %
" 1
"
H 7I* 8N
!
5 "D
"3 # '
,---.
"D
9 U
"
"D #
' L ' 6%' -
,-@.
"' H' ' ' # '
' 5'
' K'
! "
= "
"
"
"
/0
)
H
(
'
'
# !
/7
,@.
5=
'(+-
"'
"4
"
167
9
H
//
# !
'(+,
9
'L'
H
*
9 L " "D 5
"
"
! "
= "
"
= "
"
" 2
'
"
"
5 &
"
"D H' ' L' '
' J ' -' 5%
'
"
! "
9
6X <0
"' "
L:6'
"
)
,--.
'())
"
,-.
P'
/*
P
9
D
"
)
9
(
5=
"
! "
H
9 .
"
'(++
9 L " "D
"
' %
CC
"
"
"
9 5 "D L
9 U
"D H'
"'
'
I
' # ' ' K'
'
5
I
5
9 5 "D
"3 # ' +
"
' 6%' :
! "
# !
/<
"' "
"' ) " "
"
! "
# !
/?
5
"
"
"
"
=
Z8
Z5
Z:
"
"
%
)
ZL
Z
"
"
"
Z5
" "+
+
Z:"
"
"
"
Z:
Z
"!%
Z
)
"
"
"
& "3-
!
/A
# !
"
! "
"
"
"
'
%
"
! "
@
"
"
# !
0C
# !
0$
# !
0/
,-.
8
"
"
'
) "
,
(
"
$ #
%
""
"
".
)
"
"
%
"
= L
! "
"
:
"
"
"
"
!
"
,
%
)
! "
"
"
! ".'
"
)
,---.
)
)
"
0 *C K
# !
0*
3!
"
"
"
"
3
$ *7 K
! "
\ H )) , ?</.
0
,--.
"
"
# !
!
3
! "
"
"
,-@.
@
" %
"
! "
:"
" !
",
"
H
H$
H$
9:
$I
& * +
7 /$
? 70
0 </
*/
88
& * +
< /C
$$
< ?C
0 ?
P
L:6
L- P
5=
! "
:&
=∑
=
=
∑
+
∑
+
D" !
θ
∑
+
+
+
−
+
+
ε
"
"
"
=
∑
+
∑
∑




+ ∑
< 

+
""
2
"
=
"
"
"
"
"
D" !
=∑
θ
ω
−
+
+
−
+
+
ω −δ
ε



111
11
A,
$*,
/*,
/?,
7C,
$C < ,
*? ,
/? ,
7$,
CA,
$/ * ,
** 7 ,
0? ,
?C / ,
:
)
" ) 2
U
I%
:
U
)
! "
:&
07
ε
)
−
# !
+
9
:
H 2
L
θ −θ
+
""
0<
# !
"
D" !
""
.
.
.
.
.
.
.
.
.
.
.
.
.
.
# !
0?
# !
7C
1;
!
"
"
"
! "
" !
," "
+
.
!
:
2
" !
"
"
F
!
! "
+
D" !
"
)
9
ω −δ
"
= "
)
"
=
+
! "
:&
9
=
" 2
:&
θ −θ
−
+
.
"
1
−
ω

+ ∑
< 

+
""
00
# !
""
)
!
9
9
9
$I "I%
"I%
'
"
!
9
$I%
,@.D
"
' "
)
+
)
"
"
"
"
"
" 2
"
"
" " %
"
"'
"
)
"
"
" "
]B
6B)
)
)
&
"
"
! "
" %
"
"
" !
# !
"
0A
! "
6 "
@
" !
εB
"
""
=
!
"
!
" )
+
"
2
"
,@-.D
"
!
"
"
"
"'
))
L:6
:
BC $70 K
:
B$ *C K
:
3
BC $7C K
3
:
BI* C$? K
3
:
BI$ ?C K
3
! "
# !
P
3
:
B$ C<K
"
,@-.D
"
"
)
=
3
=∑
=
∑
+
∑
θ
+
∑
ω

+∑
< 

+
−
+
+
+
+


= )


( (
%
9
"
%
1J;
7
))4
! "
"
,@-.D
"
"
5
+
# !
7$
# !
7/
# !
77
"'*
"( :;
−
θ −θ
−
+
ω −δ



ε
D
"
J
"
"'$
)
<(
( < <(
>(
! "
:&
J
"
# !
7*
! "
,-.
:&
9
!
! "
# !
70
D
"
"
,--.
"
! "
:&
9
D
"
"
,---.
"
! "
# !
7<