diff options
Diffstat (limited to '1652/CH6')
-rwxr-xr-x | 1652/CH6/EX6.1/6_1.sce | 9 | ||||
-rwxr-xr-x | 1652/CH6/EX6.10/6_10.sce | 7 | ||||
-rwxr-xr-x | 1652/CH6/EX6.3/6_3.sce | 9 | ||||
-rwxr-xr-x | 1652/CH6/EX6.4/6_4.sce | 8 | ||||
-rwxr-xr-x | 1652/CH6/EX6.5/6_5.sce | 8 | ||||
-rwxr-xr-x | 1652/CH6/EX6.9/6_9.sce | 7 |
6 files changed, 48 insertions, 0 deletions
diff --git a/1652/CH6/EX6.1/6_1.sce b/1652/CH6/EX6.1/6_1.sce new file mode 100755 index 000000000..26b3901f1 --- /dev/null +++ b/1652/CH6/EX6.1/6_1.sce @@ -0,0 +1,9 @@ +clc
+//initialization of variables
+a2=1/8
+//calculations
+b2=1-a2
+a1=sqrt(a2)
+b1=sqrt(b2)
+//results
+printf(" Wave function is %.2f phi1 +%.2f phi2",a1,b1)
diff --git a/1652/CH6/EX6.10/6_10.sce b/1652/CH6/EX6.10/6_10.sce new file mode 100755 index 000000000..d9000d714 --- /dev/null +++ b/1652/CH6/EX6.10/6_10.sce @@ -0,0 +1,7 @@ +clc
+//initialization of variables
+DHH=42 //kcal/mol
+//calculations
+DHHp=0.5*(DHH)
+//results
+printf("Exchange energy = %.1f kcal/mol",DHHp)
diff --git a/1652/CH6/EX6.3/6_3.sce b/1652/CH6/EX6.3/6_3.sce new file mode 100755 index 000000000..7b8eec018 --- /dev/null +++ b/1652/CH6/EX6.3/6_3.sce @@ -0,0 +1,9 @@ +clc
+//initialization of variables
+sinu=2/sqrt(3)
+cosu=sqrt(2/3)
+//calculations
+tanu=sinu/cosu
+u=atand(sinu/cosu)
+//results
+printf("Bond anagle = %.2f degrees",2*u)
diff --git a/1652/CH6/EX6.4/6_4.sce b/1652/CH6/EX6.4/6_4.sce new file mode 100755 index 000000000..cea9c626b --- /dev/null +++ b/1652/CH6/EX6.4/6_4.sce @@ -0,0 +1,8 @@ +clc
+//initialization of variables
+cosu=1/sqrt(3)
+sinu=sqrt(2/3)
+//calculations
+f=1/2 + sqrt(3) /2 *cosu + sqrt(3/2) *sinu
+//results
+printf("Pauling strength = %d ",f)
diff --git a/1652/CH6/EX6.5/6_5.sce b/1652/CH6/EX6.5/6_5.sce new file mode 100755 index 000000000..cfa7a5eb2 --- /dev/null +++ b/1652/CH6/EX6.5/6_5.sce @@ -0,0 +1,8 @@ +clc
+//initialization of variables
+alpha=60
+//calculations
+cosa=cosd(alpha)
+sina=sind(alpha)
+//results
+printf("Wave function = %.2f s + %.2f pz",cosa,sina)
diff --git a/1652/CH6/EX6.9/6_9.sce b/1652/CH6/EX6.9/6_9.sce new file mode 100755 index 000000000..91b744b57 --- /dev/null +++ b/1652/CH6/EX6.9/6_9.sce @@ -0,0 +1,7 @@ +clc
+//initialization of variables
+DHH=103 //kcal/mol
+//calculations
+DHHp=0.5*(DHH)
+//results
+printf("Bond energy = %.1f kcal/mol",DHHp)
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