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Volume 143,
Issue 7
Volume 143,
Issue 6
Volume 143,
Issue 5
Volume 143,
Issue 4
Volume 143,
Issue 3
Volume 143,
Issue 2
Volume 143,
Issue 1
Volume 142,
Issue 12
Volume 142,
Issue 11
Volume 142,
Issue 10
Volume 142,
Issue 9
Volume 142,
Issue 8
Volume 142,
Issue 7
Volume 142,
Issue 6
Volume 142,
Issue 5
Volume 142,
Issue 4
Volume 142,
Issue 3
Volume 142,
Issue 2
Volume 142,
Issue 1
Volume 141,
Issue 12
Volume 141,
Issue 11
Volume 141,
Issue 10
Volume 141,
Issue 9
Volume 141,
Issue 8
Volume 141,
Issue 7
Volume 141,
Issue 6
Volume 141,
Issue 5
Volume 141,
Issue 4
Volume 141,
Issue 3
Volume 141,
Issue 2
Volume 141,
Issue 1
Volume 140,
Issue 12
Volume 140,
Issue 11
Volume 140,
Issue 10
Volume 140,
Issue 9
Volume 140,
Issue 8
Volume 140,
Issue 7
Volume 140,
Issue 6
Volume 140,
Issue 5
Volume 140,
Issue 4
Volume 140,
Issue 3
Volume 140,
Issue 2
Volume 140,
Issue 1
Volume 139,
Issue 12
Volume 139,
Issue 11
Volume 139,
Issue 10
Volume 139,
Issue 9
Volume 139,
Issue 8
Volume 139,
Issue 7
Volume 139,
Issue 6
Volume 139,
Issue 5
Volume 139,
Issue 4
Volume 139,
Issue 3
Volume 139,
Issue 2
Volume 139,
Issue 1
Volume 138,
Issue 12
Volume 138,
Issue 11
Volume 138,
Issue 10
Volume 138,
Issue 9
Volume 138,
Issue 8
Volume 138,
Issue 7
Volume 138,
Issue 6
Volume 138,
Issue 5
Volume 138,
Issue 4
Volume 138,
Issue 3
Volume 138,
Issue 2
Volume 138,
Issue 1
Volume 137,
Issue 12
Volume 137,
Issue 11
Volume 137,
Issue 10
Volume 137,
Issue 9
Volume 137,
Issue 8
Volume 137,
Issue 7
Volume 137,
Issue 6
Volume 137,
Issue 5
Volume 137,
Issue 4
Volume 137,
Issue 3
Volume 137,
Issue 2
Volume 137,
Issue 1
Volume 136,
Issue 12
Volume 136,
Issue 11
Volume 136,
Issue 10
Volume 136,
Issue 9
Volume 136,
Issue 8
Volume 136,
Issue 7
Volume 136,
Issue 6
Volume 136,
Issue 5
Volume 136,
Issue 4
Volume 136,
Issue 3
Volume 136,
Issue 2
Volume 136,
Issue 1
Volume 135,
Issue 12
Volume 135,
Issue 11
Volume 135,
Issue 10
Volume 135,
Issue 9
Volume 135,
Issue 8
Volume 135,
Issue 7
Volume 135,
Issue 6
Volume 135,
Issue 5
Volume 135,
Issue 4
Volume 135,
Issue 3
Volume 135,
Issue 2
Volume 135,
Issue 1
Volume 134,
Issue 12
Volume 134,
Issue 11
Volume 134,
Issue 10
Volume 134,
Issue 9
Volume 134,
Issue 8
Volume 134,
Issue 7
Volume 134,
Issue 6
Volume 134,
Issue 5
Volume 134,
Issue 4
Volume 134,
Issue 3
Volume 134,
Issue 2
Volume 134,
Issue 1
Volume 133,
Issue 12
Volume 133,
Issue 11
Volume 133,
Issue 10
Volume 133,
Issue 9
Volume 133,
Issue 8
Volume 133,
Issue 7
Volume 133,
Issue 6
Volume 133,
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Volume 133,
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Volume 133,
Issue 3
Volume 133,
Issue 2
Volume 133,
Issue 1
Volume 132,
Issue 12
Volume 132,
Issue 11
Volume 132,
Issue 10
Volume 132,
Issue 9
Volume 132,
Issue 8
Volume 132,
Issue 7
Volume 132,
Issue 6
Volume 132,
Issue 5
Volume 132,
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Volume 132,
Issue 3
Volume 132,
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Volume 132,
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Volume 131,
Issue 12
Volume 131,
Issue 11
Volume 131,
Issue 10
Volume 131,
Issue 9
Volume 131,
Issue 8
Volume 131,
Issue 7
Volume 131,
Issue 6
Volume 131,
Issue 5
Volume 131,
Issue 4
Volume 131,
Issue 3
Volume 131,
Issue 2
Volume 131,
Issue 1
Volume 130,
Issue 6
Volume 130,
Issue 4
Volume 130,
Issue 3
Volume 130,
Issue 2
Volume 130,
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Volume 129,
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Volume 129,
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Volume 129,
Issue 3
Volume 129,
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Volume 129,
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Volume 128,
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Volume 128,
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Volume 128,
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Volume 128,
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Volume 128,
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Volume 127,
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Volume 127,
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Volume 127,
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Volume 127,
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Volume 127,
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Volume 127,
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Volume 126,
Issue 6
Volume 126,
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Volume 126,
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Volume 126,
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Volume 126,
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Volume 126,
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Volume 125,
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Volume 125,
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Volume 125,
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Volume 125,
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Volume 124,
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Volume 124,
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Volume 124,
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Volume 124,
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Volume 124,
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Volume 123,
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Volume 123,
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Volume 123,
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Volume 123,
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Volume 122,
Issue 6
Volume 122,
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Volume 122,
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Volume 122,
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Volume 122,
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Volume 121,
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Volume 121,
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Volume 121,
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Volume 121,
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Volume 121,
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Volume 121,
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Volume 120,
Issue 6
Volume 120,
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Volume 120,
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Volume 120,
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Volume 119,
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Volume 119,
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Volume 119,
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Volume 119,
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Volume 119,
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Volume 118,
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Volume 118,
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Volume 118,
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Volume 118,
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Volume 118,
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Volume 118,
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Volume 117,
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Volume 117,
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Volume 117,
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Volume 117,
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Volume 117,
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Volume 117,
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Volume 116,
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Volume 116,
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Volume 116,
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Volume 116,
Issue 1
Volume 115,
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Volume 115,
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Volume 115,
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Volume 115,
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Volume 115,
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Volume 114,
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Volume 114,
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Volume 114,
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Volume 114,
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Volume 113,
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Volume 113,
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Volume 112,
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Volume 112,
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Volume 112,
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Volume 112,
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Volume 112,
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Volume 112,
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Volume 111,
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Volume 111,
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Volume 111,
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Volume 110,
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Volume 110,
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Volume 110,
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Volume 110,
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Volume 110,
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Volume 110,
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Volume 109,
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Volume 109,
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Volume 109,
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Volume 109,
Issue 3
Volume 109,
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Volume 109,
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Volume 108,
Issue 6
Volume 108,
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Volume 108,
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Volume 108,
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Volume 108,
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Volume 108,
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Volume 107,
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Volume 107,
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Volume 107,
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Volume 107,
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Volume 107,
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Volume 107,
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Volume 106,
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Volume 106,
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Volume 106,
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Volume 106,
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Volume 106,
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Volume 106,
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Volume 105,
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Volume 105,
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Volume 105,
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Volume 105,
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Volume 105,
Issue 1
Volume 104,
Issue 6
Volume 104,
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Volume 104,
Issue 3
Volume 104,
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Volume 104,
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Volume 103,
Issue 6
Volume 103,
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Volume 103,
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Volume 103,
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Volume 103,
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Volume 102,
Issue 1
Volume 101,
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Volume 101,
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Volume 101,
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Volume 101,
Issue 1
Volume 100,
Issue 5
Volume 100,
Issue 1
Volume 99,
Issue 6
Volume 99,
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Volume 99,
Issue 4
Volume 99,
Issue 3
Volume 99,
Issue 2
Volume 99,
Issue 1
Volume 98,
Issue 4
Volume 98,
Issue 2
Volume 98,
Issue 1
Volume 97,
Issue 1
Volume 96,
Issue 4
Volume 96,
Issue 3
Volume 96,
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Volume 96,
Issue 1
Volume 95,
Issue 6
Volume 95,
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Volume 95,
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Volume 95,
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Volume 95,
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Volume 95,
Issue 1
Volume 94,
Issue 6
Volume 94,
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Volume 94,
Issue 4
Volume 94,
Issue 3
Volume 94,
Issue 2
Volume 94,
Issue 1
Volume 93,
Issue 6
Volume 93,
Issue 5
Volume 93,
Issue 4
Volume 93,
Issue 3
Volume 93,
Issue 2
Volume 93,
Issue 1
Volume 92,
Issue 6
Volume 92,
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Volume 92,
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Volume 92,
Issue 3
Volume 92,
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Volume 92,
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Volume 91,
Issue 6
Volume 91,
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Volume 91,
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Volume 91,
Issue 3
Volume 91,
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Volume 91,
Issue 1
Volume 90,
Issue 6
Volume 90,
Issue 5
Volume 90,
Issue 4
Volume 90,
Issue 3
Volume 90,
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Volume 90,
Issue 1
Volume 89,
Issue 6
Volume 89,
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Volume 89,
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Volume 89,
Issue 3
Volume 89,
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Volume 89,
Issue 1
Volume 88,
Issue 6
Volume 88,
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Volume 88,
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Volume 88,
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Volume 88,
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Volume 88,
Issue 1
Volume 87,
Issue 6
Volume 87,
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Volume 87,
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Volume 87,
Issue 3
Volume 87,
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Volume 87,
Issue 1
Volume 86,
Issue 6
Volume 86,
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Volume 86,
Issue 4
Volume 86,
Issue 3
Volume 86,
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Volume 86,
Issue 1
Volume 85,
Issue 6
Volume 85,
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Volume 85,
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Volume 85,
Issue 3
Volume 85,
Issue 1
Volume 84,
Issue 6
Volume 84,
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Volume 84,
Issue 4
Volume 84,
Issue 3
Volume 84,
Issue 2
Volume 84,
Issue 1
Volume 83,
Issue 6
Volume 83,
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Volume 83,
Issue 4
Volume 83,
Issue 3
Volume 83,
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Volume 83,
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Volume 82,
Issue 6
Volume 82,
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Volume 82,
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Volume 82,
Issue 3
Volume 82,
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Volume 82,
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Volume 81,
Issue 6
Volume 81,
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Volume 81,
Issue 4
Volume 81,
Issue 3
Volume 81,
Issue 2
Volume 81,
Issue 1
Volume 80,
Issue 6
Volume 80,
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Volume 80,
Issue 4
Volume 80,
Issue 3
Volume 80,
Issue 2
Volume 80,
Issue 1
Volume 79,
Issue 6
Volume 79,
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Volume 79,
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Volume 79,
Issue 3
Volume 79,
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Volume 79,
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Volume 78,
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Volume 78,
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Volume 78,
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Volume 78,
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Volume 78,
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Volume 78,
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Volume 77,
Issue 6
Volume 77,
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Volume 77,
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Volume 77,
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Volume 77,
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Volume 77,
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Volume 76,
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Volume 76,
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Volume 76,
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Volume 76,
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Volume 76,
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Volume 76,
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Volume 75,
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Volume 75,
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Volume 75,
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Volume 75,
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Volume 75,
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Volume 75,
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Volume 74,
Issue 6
Volume 74,
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Volume 74,
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Volume 74,
Issue 3
Volume 74,
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Volume 74,
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Volume 73,
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Volume 73,
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Volume 73,
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Volume 73,
Issue 3
Volume 73,
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Volume 73,
Issue 1
Volume 72,
Issue 6
Volume 72,
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Volume 72,
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Volume 72,
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Volume 72,
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Volume 72,
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Volume 71,
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Volume 71,
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Volume 71,
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Volume 71,
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Volume 71,
Issue 2
Volume 71,
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Volume 70,
Issue 6
Volume 70,
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Volume 70,
Issue 4
Volume 70,
Issue 3
Volume 70,
Issue 2
Volume 70,
Issue 1
Volume 69,
Issue 6
Volume 69,
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Volume 69,
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Volume 69,
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Volume 69,
Issue 2
Volume 69,
Issue 1
Volume 68,
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Volume 68,
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Volume 68,
Issue 4
Volume 68,
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Volume 68,
Issue 2
Volume 68,
Issue 1
Volume 67,
Issue 6
Volume 67,
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Volume 67,
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Volume 67,
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Volume 67,
Issue 2
Volume 67,
Issue 1
Volume 66,
Issue 6
Volume 66,
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Volume 66,
Issue 4
Volume 66,
Issue 3
Volume 66,
Issue 2
Volume 66,
Issue 1
Volume 65,
Issue 6
Volume 65,
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Volume 65,
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Volume 65,
Issue 3
Volume 65,
Issue 2
Volume 65,
Issue 1
Volume 64,
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Volume 64,
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Volume 64,
Issue 4
Volume 64,
Issue 3
Volume 64,
Issue 2
Volume 64,
Issue 1
Volume 63,
Issue 6
Volume 63,
Issue 5
Volume 63,
Issue 4
Volume 63,
Issue 3
Volume 63,
Issue 2
Volume 63,
Issue 1
Volume 62,
Issue 6
Volume 62,
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Volume 62,
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Volume 62,
Issue 3
Volume 62,
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Volume 62,
Issue 1
Volume 61,
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Volume 61,
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Volume 61,
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Volume 61,
Issue 3
Volume 61,
Issue 2
Volume 61,
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Volume 60,
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Volume 60,
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Volume 60,
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Volume 60,
Issue 3
Volume 60,
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Volume 60,
Issue 1
Volume 59,
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Volume 59,
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Volume 59,
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Volume 59,
Issue 3
Volume 59,
Issue 2
Volume 59,
Issue 1
Volume 58,
Issue 4
Volume 58,
Issue 3
Volume 58,
Issue 2
Volume 58,
Issue 1
Volume 57,
Issue 4
Volume 57,
Issue 3
Volume 57,
Issue 2
Volume 57,
Issue 1
Volume 56,
Issue 4
Volume 56,
Issue 3
Volume 56,
Issue 2
Volume 56,
Issue 1
Volume 55,
Issue 4
Volume 55,
Issue 3
Volume 55,
Issue 2
Volume 55,
Issue 1
Volume 54,
Issue 4
Volume 54,
Issue 3
Volume 54,
Issue 2
Volume 54,
Issue 1
Volume 53,
Issue 4
Volume 53,
Issue 3
Volume 53,
Issue 2
Volume 53,
Issue 1
Volume 52,
Issue 4
Volume 52,
Issue 3
Volume 52,
Issue 2
Volume 52,
Issue 1
Volume 51,
Issue 4
Volume 51,
Issue 3
Volume 51,
Issue 2
Volume 51,
Issue 1
Volume 50,
Issue 4
Volume 50,
Issue 3
Volume 50,
Issue 2
Volume 50,
Issue 1
Volume 49,
Issue 4
Volume 49,
Issue 3
Volume 49,
Issue 2
Volume 49,
Issue 1
Volume 48,
Issue 4
Volume 48,
Issue 3
Volume 48,
Issue 2
Volume 48,
Issue 1
Volume 47,
Issue 4
Volume 47,
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Volume 47,
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Volume 47,
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Volume 46,
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Volume 46,
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Volume 46,
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Volume 46,
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Volume 45,
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Volume 45,
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Volume 45,
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Volume 45,
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Volume 44,
Issue 4
Volume 44,
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Volume 44,
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Volume 44,
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Volume 43,
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Volume 43,
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Volume 43,
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Volume 43,
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Volume 42,
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Volume 42,
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Volume 42,
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Volume 42,
Issue 1
Volume 41,
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Volume 41,
Issue 3
Volume 41,
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Volume 41,
Issue 1
Volume 40,
Issue 4
Volume 40,
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Volume 40,
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Volume 40,
Issue 1
Volume 39,
Issue 4
Volume 39,
Issue 3
Volume 39,
Issue 2
Volume 39,
Issue 1
Volume 38,
Issue 4
Volume 38,
Issue 3
Volume 38,
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Volume 38,
Issue 1
Volume 37,
Issue 4
Volume 37,
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Volume 37,
Issue 2
Volume 37,
Issue 1
Volume 36,
Issue 4
Volume 36,
Issue 3
Volume 36,
Issue 2
Volume 36,
Issue 1
Volume 35,
Issue 4
Volume 35,
Issue 3
Volume 35,
Issue 2
Volume 35,
Issue 1
Volume 34,
Issue 4
Volume 34,
Issue 3
Volume 34,
Issue 2
Volume 34,
Issue 1
Volume 33,
Issue 4
Volume 33,
Issue 3
Volume 33,
Issue 2
Volume 33,
Issue 1
Volume 32,
Issue 4
Volume 32,
Issue 3
Volume 32,
Issue 2
Volume 32,
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Volume 31,
Issue 4
Volume 31,
Issue 3
Volume 31,
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Volume 31,
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Volume 30,
Issue 4
Volume 30,
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Volume 30,
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Volume 30,
Issue 1
Volume 29,
Issue 4
Volume 29,
Issue 3
Volume 29,
Issue 2
Volume 29,
Issue 1
Volume 28,
Issue 4
Volume 28,
Issue 3
Volume 28,
Issue 2
Volume 28,
Issue 1
Volume 27,
Issue 4
Volume 27,
Issue 3
Volume 27,
Issue 2
Volume 27,
Issue 1
Volume 26,
Issue 4
Volume 26,
Issue 3
Volume 26,
Issue 2
Volume 26,
Issue 1
Volume 25,
Issue 4
Volume 25,
Issue 3
Volume 25,
Issue 2
Volume 25,
Issue 1
Volume 24,
Issue 4
Volume 24,
Issue 3
Volume 24,
Issue 2
Volume 24,
Issue 1
Volume 23,
Issue 4
Volume 23,
Issue 3
Volume 23,
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Volume 23,
Issue 1
Volume 22,
Issue 4
Volume 22,
Issue 3
Volume 22,
Issue 2
Volume 22,
Issue 1
Volume 21,
Issue 4
Volume 21,
Issue 3
Volume 21,
Issue 2
Volume 21,
Issue 1
Volume 20,
Issue 4
Volume 20,
Issue 3
Volume 20,
Issue 2
Volume 20,
Issue 1
Volume 19,
Issue 4
Volume 19,
Issue 3
Volume 19,
Issue 2
Volume 19,
Issue 1
Volume 18,
Issue 4
Volume 18,
Issue 3
Volume 18,
Issue 2
Volume 18,
Issue 1
Volume 17,
Issue 5
Volume 17,
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Volume 17,
Issue 3
Volume 17,
Issue 2
Volume 17,
Issue 1
Volume 16,
Issue 5
Volume 16,
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Volume 16,
Issue 3
Volume 16,
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Volume 16,
Issue 1
Volume 15,
Issue 5
Volume 15,
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Volume 15,
Issue 3
Volume 15,
Issue 2
Volume 15,
Issue 1
Volume 14,
Issue 5
Volume 14,
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Volume 14,
Issue 3
Volume 14,
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Volume 14,
Issue 1
Volume 13,
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Volume 13,
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Volume 13,
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Volume 13,
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Volume 13,
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Volume 12,
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Volume 12,
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Volume 12,
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Volume 12,
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Volume 12,
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Volume 11,
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Volume 11,
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Volume 11,
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Volume 11,
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Volume 11,
Issue 1
Volume 10,
Issue 5
Volume 10,
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Volume 10,
Issue 3
Volume 10,
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Volume 10,
Issue 1
Volume 9,
Issue 5
Volume 9,
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Volume 9,
Issue 3
Volume 9,
Issue 2
Volume 9,
Issue 1
Volume 8,
Issue 5
Volume 8,
Issue 4
Volume 8,
Issue 3
Volume 8,
Issue 2
Volume 8,
Issue 1
Volume 7,
Issue 5
Volume 7,
Issue 4
Volume 7,
Issue 3
Volume 7,
Issue 2
Volume 7,
Issue 1
Volume 6,
Issue 5
Volume 6,
Issue 4
Volume 6,
Issue 3
Volume 6,
Issue 2
Volume 6,
Issue 1
Volume 5,
Issue 5
Volume 5,
Issue 4
Volume 5,
Issue 3
Volume 5,
Issue 2
Volume 5,
Issue 1
Volume 4,
Issue 5
Volume 4,
Issue 4
Volume 4,
Issue 3
Volume 4,
Issue 2
Volume 4,
Issue 1
Volume 3,
Issue 5
Volume 3,
Issue 4
Volume 3,
Issue 3
Volume 3,
Issue 2
Volume 3,
Issue 1
Volume 2,
Issue 5
Volume 2,
Issue 4
Volume 2,
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Volume 2,
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Volume 2,
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Volume 1,
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>
Table of contents
571
A Festschrift in honor of Akira Imamura’s 77th birthday, his recent retirement, and his many contributions to theoretical chemistry
Jalkanen, Karl James
/ Aoki, Yuriko
et al.
| 2011
575
Akira Imamura: a scientific memoir (1950–2011)
Imamura, Akira
et al.
| 2011
595
Highly accurate O(N) method for delocalized systems
Aoki, Yuriko
/ Loboda, Oleksandr
/ Liu, Kai
et al.
| 2011
609
Thermo-dynamical contours of electronic-vibrational spectra simulated using the statistical quantum–mechanical methods
Pomogaev, Vladimir
/ Pomogaeva, Anna
/ Avramov, Pavel
et al.
| 2011
633
An improved algorithm for the normalized elimination of the small-component method
Zou, Wenli
/ Filatov, Michael
/ Cremer, Dieter
et al.
| 2011
645
An application of double exponential formula to radial quadrature grid in density functional calculation
Mitani, Masaki
et al.
| 2011
671
Mixing parameters for geometry optimization using the Hamiltonian algorithm
Teramae, Hiroyuki
/ Ishimoto, Takayoshi
/ Nagashima, Umpei
et al.
| 2011
679
Analytical optimization of orbital exponents in Gaussian-type functions for molecular systems based on MCSCF and MP2 levels of fully variational molecular orbital method
Shimizu, Naoto
/ Ishimoto, Takayoshi
/ Tachikawa, Masanori
et al.
| 2011
687
On the dipolar electric field response of large systems
Springborg, Michael
/ Kirtman, Bernard
et al.
| 2011
701
Finite-field evaluation of static (hyper)polarizabilities based on the linear-scaling divide-and-conquer method
Touma, Tsuguki
/ Kobayashi, Masato
/ Nakai, Hiromi
et al.
| 2011
711
(Hyper)polarizability density analysis for open-shell molecular systems based on natural orbitals and occupation numbers
Nakano, Masayoshi
/ Fukui, Hitoshi
/ Minami, Takuya
et al.
| 2011
725
Erratum to: (Hyper)polarizability density analysis for open-shell molecular systems based on natural orbitals and occupation numbers
Nakano, Masayoshi
/ Fukui, Hitoshi
/ Minami, Takuya
et al.
| 2011
727
Alkali metal doping effect on static first hyperpolarizabilities of PMI chains
Kang, Ling Zhi
/ Inerbaev, Talgat
/ Kirtman, Bernard
et al.
| 2011
739
Singlet–triplet energy gap for trimethylenemethane, oxyallyl diradical, and related species: single- and multireference computational results
Saito, Toru
/ Nishihara, Satomichi
/ Yamanaka, Shusuke
et al.
| 2011
749
Symmetry and broken symmetry in molecular orbital description of unstable molecules IV: comparison between single- and multi-reference computational results for antiaromtic molecules
Saito, Toru
/ Nishihara, Satomichi
/ Yamanaka, Shusuke
et al.
| 2011
765
Orbital views of the electron transport through heterocyclic aromatic hydrocarbons
Li, Xinqian
/ Staykov, Aleksandar
/ Yoshizawa, Kazunari
et al.
| 2011
775
Molecular orbital concept on spin-flip transport in molecular junctions
Tada, Tomofumi
/ Yamamoto, Takahiro
/ Watanabe, Satoshi
et al.
| 2011
789
Guidelines proposed for designing organic ferromagnets by using a quantum chemical approach
Onitsuka, Shohei
/ Aoki, Yuriko
et al.
| 2011
807
Theoretical investigation of hole mobility in 9,10-diphenylanthracene by density functional calculations
Watanabe, Shotaro
/ Shimodo, Yasuyo
/ Morihashi, Kenji
et al.
| 2011
815
Interference-induced electron- and hole-conduction asymmetry
Wohlthat, Sören
/ Solomon, Gemma C.
/ Hush, Noel S.
et al.
| 2011
829
Interaction of $ Fe^{3+} $meso-tetrakis (2,6-dichloro-3-sulfonatophenyl) porphyrin with cationic bilayers: magnetic switching of the porphyrin and magnetic induction at the interface
Mugnol, Katia C. U.
/ Martins, Marccus V. A.
/ Nascimento, Edvaldo C.
et al.
| 2011
839
A theoretical approach to molecular single-electron transistors
Olsen, Stine T.
/ Hansen, Thorsten
/ Mikkelsen, Kurt V.
et al.
| 2011
851
An examination of density functional theories on isomerization energy calculations of organic molecules
Song, Jong-Won
/ Tsuneda, Takao
/ Sato, Takeshi
et al.
| 2011
859
The nature of base stacking: a Monte Carlo study
Dailidonis, Vladimir V.
/ Danilov, Victor I.
/ Früchtl, Herbert A.
et al.
| 2011
871
Theoretical study of formation of ion pairs in ($ NH_{3} $·HCl)($ H_{2} $O)6 and ($ NH_{3} $·HF)($ H_{2} $O)6
DeKock, Roger L.
/ Brandsen, Benjamin M.
/ Strikwerda, John R.
et al.
| 2011
883
A B3LYP investigation of the conformational and environmental sensitivity of carbon–deuterium frequencies of aryl-perdeuterated phenylalanine and tryptophan
Hickert, Alyssa S.
/ Durgan, Andrew C.
/ Patton, Duncan A.
et al.
| 2011
891
An unsymmetrical behavior of reactant units in the Kolbe–Schmitt reaction
Yamabe, Shinichi
/ Yamazaki, Shoko
et al.
| 2010
901
The [2 + 2 + 2] mechanisms of trimerization of three ethynes and monosilaethylenes
Sakai, Shogo
/ Taketa, Keitaro
et al.
| 2011
909
A computational study on the relationship between formation and electrolytic dissociation of carbonic acid
Yamabe, Shinichi
/ Kawagishi, Nao
et al.
| 2011
919
Conformational study of the structure of free 12-thiacrown-4 and some of its cation metal complexes
Al-Badri, Nada I.
/ Al-Jallal, Nada A.
/ El-Azhary, Adel A.
et al.
| 2011
939
DFT studies of cation binding by β-cyclodextrin
Stachowicz, Anna
/ Styrcz, Anna
/ Korchowiec, Jacek
et al.
| 2011
955
Computational study on the partial dechlorination of the pesticide chloropicrin by sulfur species
Ventura, Oscar N.
/ Saenz-Méndez, Patricia
/ Bottinelli, Fiorentina
et al.
| 2011
965
A quantum mechanical study of bioactive 3-chloro-2,5-dihydroxybenzyl alcohol through substitutions
Arachchilage, Anoja Pushpamali Wickrama
/ Wang, Yong
/ Wang, Feng
et al.
| 2011
981
Biradical processes in reactions between benzyne and tropone
Yamabe, Shinichi
/ Minato, Tsutomu
/ Watanabe, Teruyuki
et al.
| 2011
991
Effect of non-specificity in shape, size, and dielectric properties on electromagnetic extinction and optical field enhancement from spherical nanolayered metal-dielectric particles
Kodali, Anil K.
/ Bhargava, Rohit
et al.
| 2011
1001
Structural and thermodynamic properties of $ Au_{2–20} $ clusters
Dong, Yi
/ Springborg, Michael
/ Warnke, Ingolf
et al.
| 2011
1009
The geometric, energetic, and electronic properties of charged phosphorus-doped silicon clusters, $ PSi_{n} $+/$ PSi_{n} $− (n = 1–8)
Chang, Yu
/ Li, Guoliang
/ Gao, Aimei
et al.
| 2011
1023
D3h $ Al_{3} $N: a novel promising ligand for coordination chemistry
Li, Nan
/ Luo, Qiong
et al.
| 2011
1031
Density functional theory study on quasi-three-dimensional oxidized platinum surface: phase transition between α-$ PtO_{2} $-like and β-$ PtO_{2} $-like structures
Shimazaki, Tomomi
/ Suzuki, Toshiya
/ Kubo, Momoji
et al.
| 2011
1039
Isotope effect of proton and deuteron adsorption site on zeolite-templated carbon using path integral molecular dynamics
Suzuki, Kimichi
/ Tachikawa, Masanori
/ Ogawa, Hiroshi
et al.
| 2011
1043
Quantum chemical studies of Lindqvist-type polyoxometalates containing late 3d transition metals ([(py)$ M^{II} $$ W_{5} $$ O_{18} $]4− (M = Fe, Co, Ni)): $ M^{II} $–N bonding and second-order nonlinear optical properties
Cong, Sha
/ Yan, Li Kai
/ Wen, Shi Zheng
et al.
| 2011
1055
Role of CH–π interaction energy in self-assembled gear-shaped amphiphile molecules: correlated ab initio molecular orbital and density functional theory study
Koseki, Jun
/ Kita, Yukiumi
/ Hiraoka, Shuichi
et al.
| 2011
1061
Influence of polar groups on the wetting properties of vertically aligned multiwalled carbon nanotube surfaces
Ramos, S. C.
/ Lobo, A. O.
/ de Vasconcelos, G.
et al.
| 2011
1071
Proposed model for growth preference of plate-like nanohydroxyapatite crystals on superhydrophilic vertically aligned carbon nanotubes by electrodeposition
Lobo, A. O.
/ Marciano, F. R.
/ Regiani, I.
et al.
| 2011
1083
Erratum to: Proposed model for growth preference of plate-like nanohydroxyapatite crystals on superhydrophilic vertically aligned carbon nanotubes by electrodeposition
Lobo, A. O.
/ Marciano, F. R.
/ Regiani, I.
et al.
| 2011
1085
Thermodynamic aspects of fibroblastic spreading on diamond-like carbon films containing titanium dioxide nanoparticles
Marciano, F. R.
/ Wachesk, C. C.
/ Lobo, A. O.
et al.
| 2011
1095
The close-packed triple helix as a possible new structural motif for collagen
Bohr, Jakob
/ Olsen, Kasper
et al.
| 2010
1105
MD simulations of plant hemoglobins: the hexa- to penta-coordinate structural transition
Scorciapino, Mariano Andrea
/ Wallon, Claire
/ Ceccarelli, Matteo
et al.
| 2011
1115
Incipient structural and vibrational relaxation process of photolyzed carbonmonoxy myoglobin: statistical analysis by perturbation ensemble molecular dynamics method
Takayanagi, Masayoshi
/ Nagaoka, Masataka
et al.
| 2011
1131
Computational analysis of ligand recognition mechanisms by prostaglandin $ E_{2} $ (subtype 2) and $ D_{2} $ receptors
Daiyasu, Hiromi
/ Hirokawa, Takatsugu
/ Kamiya, Narutoshi
et al.
| 2011
1145
Systematic mutational analysis of an ubiquitin ligase (MDM2)-binding peptide: computational studies
Liu, Yun
/ Lane, David P.
/ Verma, Chandra S.
et al.
| 2011
1155
The application of condensed matter methods to the study of the conformation and elastic properties of biopolymers and the transport of DNA through cell membranes
Matthai, C. C.
/ March, N. H.
et al.
| 2011
1169
Ground-state properties of the retinal molecule: from quantum mechanical to classical mechanical computations of retinal proteins
Bondar, Ana-Nicoleta
/ Knapp-Mohammady, Michaela
/ Suhai, Sándor
et al.
| 2011
1185
Impact of proximal and distal pocket site-directed mutations on the ferric/ferrous heme redox potential of yeast cytochrome c peroxidase
Jensen, G. M.
/ Goodin, D. B.
et al.
| 2011
1197
Antigen–antibody interactions of influenza virus hemagglutinin revealed by the fragment molecular orbital calculation
Yoshioka, Akio
/ Takematsu, Kazutomo
/ Kurisaki, Ikuo
et al.
| 2011
1203
A schematic model for energy and charge transfer in the chlorophyll complex
Bohr, H. G.
/ Malik, F. B.
et al.
| 2011
1211
A Rheumatoid arthritis study using Raman spectroscopy
Carvalho, C. S.
/ Martin, A. A.
/ Santo, A. M. E.
et al.
| 2011
1221
Diagnosis of inflammatory lesions by high-wavenumber FT-Raman spectroscopy
das Chagas e Silva de Carvalho, Luis Felipe
/ Sato, Érika Tiemi
/ Almeida, Janete Dias
et al.
| 2011
1231
High-wavenumber FT-Raman spectroscopy for in vivo and ex vivo measurements of breast cancer
García-Flores, A. F.
/ Raniero, L.
/ Canevari, R. A.
et al.
| 2011
1239
In and ex vivo breast disease study by Raman spectroscopy
Raniero, L.
/ Canevari, R. A.
/ Ramalho, L. N. Z.
et al.
| 2011
1249
Spectral unmixing and clustering algorithms for assessment of single cells by Raman microscopic imaging
Hedegaard, Martin
/ Matthäus, Christian
/ Hassing, Søren
et al.
| 2011
1261
Overview of the use of theory to understand infrared and Raman spectra and images of biomolecules: colorectal cancer as an example
Piva, J. A. A. C.
/ Silva, J. L. R.
/ Raniero, L.
et al.
| 2011