Modern Polymer Spect..

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1351 Lifson, S., Stern, P. S., J. Cliew. Phys. 1982. 77. 4542-4550. [36] (a) Lii, J.-H., Allinger, N. L., J. Am. Cliem. Soc. 1989, 111, 8566-8575. (b) Allinger, N. L., Chen, K., Lii, J.-H.. Corny. Chi. 1996, 17, 642-668. [37] Lii, J.-H., Allinger, N. L., J. Cony. Cl~ct~i. 1991, 13, 186-199. [38J Dasgupta, S., Goddard 111, W. A., J. Cliem. Plij~s. 1989, 90, 7207-7215. 1391 Karasawa, N., Dasgupta, S., Goddard 111, W. A., J. Phys. Chem 1991, 95, 2260-2272. 1401 Hwang, M. J., Stockfisch, T. P., Hagler, A. T., J. iln.1. Clieni. Soc. 1994, 116, 2515-2525. 1411 Cornell, W. D., Cieplak, P., Bayly, C. I., Gould, 1. R., Merz, Jr., K. M., Ferguson, D. M., Spellineyer, D. C., Fox, T., Caldwell, J. W., Kollman, P. A., J. Atit. Clieui. SOC. 1995, 117, 5179-51 97. 1421 Miwa, Y., Machida, K.? J. Am. Cl7e117. Soc. 1988, 110, 5183-5189. [43] Derreumaux, P., Dauchez, M., Vergoten, G., J. Mol. Str~rct. 1993,295, 203-221. 1441 Derreumaux, P., Vergoten. G., J. Clwrn. Plz.vs. 1995, 10-1, 8586-8605. 1451 Palmo, K., Pietila, L.-O., Kriinm, S., Coniputer.~ Clieiv 1991, 15, 249-250. 1461 Palmo, K., Pietila. L.-O., Krimm, S., J. Cornp. Chem. 1991, 12, 385-390. 1471 Palmo, K., Mirkin, N. G., Pietila, L.-O., Krimm, S. Macromolecules 1993, 26, 6831-6840. [48] Palmo, K., Pietila, L.-O., Krimm, S., Cowipicters Clzeriz. 1993, 17, 67-72. [49] Palnio, K., Pietila, L.-O., Krimm, S. J. Con7p. Clieni. 1992, 13, 1142-1150. [SO] Pahno, K., Mirkin, N. G., Krimm. S., J. Phys. Cliem. A 1998, 102, 6448-6456. 1511 Palmo. K., Mirkin, N. G., Krimm, S., to be published. 1521 Miyazawa, T., Shimanouchi, T., Mizushima, S., J. Clzeni. Phys. 1958, 29, 611-616. [53] JakeS, J., Schneider, B., Coil. Czech. Clieni. Cornrn~iri. 1968, 33, 643-655. 1541 JakeS, J., Krimm, S., S/~ecrrochitn. Actn 1971, 27A, 19-34. [55] Rey-Lafon, M.. Forel, M. T., Garrigou-Lagrange, C., <strong>Spect</strong>rochitii. Act0 1973, 29A, 471- 486. [56] Sugawara, Y., Hirakawa, A. Y., Tsuboi. M., J. Mol. Spcctrosc. 1984, 108, 206-214. 1571 Sugawara, Y., Hirakawa, A. Y., Tsuboi, M., Kato, K., Morokuma, K., J. Mol. Spxmxc. 1986,115, 21-33. [58] Balazs, A., J. Mol. Stvuct. (Tlleoch7i) 1987, 153, 103-120. [59] Mirkin, N. G., Krimm, S., J. Mol. Struct. 1991, 242, 143-160. [60] Ataka, S., Takeuchi, H., Tasumi, M., J. Mol. Stixct. 1984, 113, 147-160. [61] Mirkin, N. G., Krinim, S., J. Am. Clieni. Soc. 1991, 113, 9742-9747. 1621 Williams, R. W., Biol~olyiiiers 1992, 32, 829-847. [63] Cheam. T. C., J. Mol. Struct. (Tlieoclieni) 1992, 257, 57-73. [64] Mirkin, N. G., Krimm, S., J. Mol. Struct., 1996, 377, 219-234. [65] Miyazawa, T., Shimanouchi, T., Mizushima, S., J. Clien?. Plzys. 1956, 24, 408-418. [66] Miyazawa, T., in: Polyaniiiio Acids, Po/.ypeptides, and Proteins: M. A. Stahmann (Ed.). Madison: University of Wisconsin Press, 1962; pp. 201-217. [67] Chen, X. G., Schweitzer-Stenner, R., Krimni, S., Mirkin, N. G., Asher, S. A., J. Ani. Che’hrnz. SOC. 1994,116, 11111-11142. 1681 Chen, X. G., Schweitzer-Stenner, R.? Asher, S. A., Mirkin, N. G., Krimm, S., J. Plz~vs. Clzeni. 1995, 99, 3074-3083. [69j Song, S., Asher, S. A., Krimm, S., Bandekar, J., J. Am. Chem Soc. 1988, 110, 8547-8548. [70] Miyazawa, T., Bull. Clieni. Soc. Japan 1961, 34, 691-696. [71] Fillaux, F., de Loze, C., Clzern. Phys. Lett. 1976, 39, 547-551. 1721 Hsu, S. L., Moore, W. H., Krimm, S., Biopolyniecr 1976, 15, 1513-1528. [73] Mirkin, N. G., Krimm, S., private communication. [74] Cheam, T. C.! J. Mol. Sttwt. 1993, 295, 259-271. 1751 Bandekar, J., Krimm, S., Biopolyiners 1988, 27, 885-908. [76] Sundius, T., Bandekar. J., Krimm, S., J. Add. Sfnrct. 1989, 214, 119-142. (771 Qian, W., Bandekar, J., Krimm, S., Biopo/.viiienr 1991, 31, 193-210. 1781 Pauling, L., Corey, R.B.. Proc. Natl. Acnd. Sci U.S.A. 1951. 37, 729-740. [79] Pauling, L., Corey, R. B., Proc. Natl. Acad. Sci. US. A. 1953, 39, 253-256. [80] Moore, W. H., Krimm, S., Biopolyrners 1976, 15, 2465-2483. 1811 Arnott, S., Dover, S. D., Elliott, A,, J. Add Biol. 1967, 30, 201-208. [S2] Bandekar, J., Krimm. S.. Biopo1ynier.r 1988, 27, 909-921,
284 5 Vibi~itionnl <strong>Spect</strong>roscopy qf Polypeptides [83] Chirgadze, Yu. N., Nevskaya, N. A.. Biopo/,vnwrs 1976, 15, 607-625. [84] Chirgadze, Yu. N., Nevskaya, N. A,, Biopolynevs 1976, 15, 627-636. [85] Elliott, A., Puoc. ROY. Soc. Loridoil Ser. A 1954, 226, 408-421. [86] Itoh, K., Katabuchi, H., Biopolwwrs 1972, 11, 1593-1605. [87] Masuda, Y., Fukushima, K., Fujii, T., Miyazawa. T., Biopo/wners 1969, 8, 9 1-99, [88] Dwivedi, A. M., Krimm, S., Macrornoleciiles 1982. 15, 186-193. [89] Fanconi, B., Biupo&r?ws 1973, 12, 2759-2776. [90] Krimm, S., Dwivedi, A. M., J. Rmm7n Spcctrosc. 1982, 12, 133-137. 1911 Itoh, K., Nakahara? T., Shimanouchi, T., Oya, M., LJno, J., Iwaknra, Y., Biopo/jwwr.y 1968, 6, 1759-1766. [92J Sengupta, P. K., Krimm, S., Hsu, S. L., Bioyolpiners 1984, 23, 1565-1594. [93] Keith, H. D., Padden, F. J.. Giannoni, G., J. h4o/. Biol. 1969, 43, 423-438. [94] Lotz, B., J. Mol. Bid. 1974, S7, 169-180. [95] Colonna-Cesari, F., Premilat, S., Lotz, B., J. Mol. Bid. 1974, 87, 181-191. [96] Dwivedi, A. M., Krimm, S., Mucroniolecules 1982. 15, 177-155. [97] Suzuki, S., Iwashita, Y., Shimanouchi, T., Tsuboi, M., Bioyolyrners 1966, 4, 337-350. [98] Small, E., Fanconi, B.. Peticolas. W. L., J. Clzeiri. Pliys. 1970, 52, 4369-4379. [99] Huggins, M. L., Chem Reos. 1943. 3-7, 195-218. [loo] Crane, H. R., Sci. Mon. 1950, 70, 376-389. [loll Bragg, L., Kendrew. J. C., Perutz, M. F., Proc. Roy. Soc. London Ser.. '4. 1950, 203, 321-357. [102] Pauling, L.. Corey, R. B., Banson, H. R., Proc. Nutl. Acud, Sci. U.S.A. 1951, 37, 205-211. [I031 Pauling, L., Corey, R. B., Proc. Nutl. Acurl. Sci. U.S.A. 1951, 37, 235-240. [I041 Amott, S., Dover, S. D., J. Mol. Bid. 1967, 30, 209-212. I1051 Miyazawa, T., J. Polynz. Sci. 1961, 55, 215-231. [lo61 Dwivedi. A. M., Krimm, S., Biopo/,ymers 1984, 23> 923-943. [lo71 Krimm, S., Dwivedi, A. M., Science 1982,216, 407-408. [lo81 Whitby, F. G., Kent, H., Stewart, F., Stewart, M., Xie, X., Hatch, V., Cohen, C., Phillips, Jr., G. N., J. Mol. Bid 1992, 227, 441-452. [lo91 Malcolm, B. R., Biopo/ymers 1983, 22, 319-321. [110] Dwivedi. A. M., Krimm, S., Malcolm, B. R., Biopol-vn7er.c 1984, 23, 2025-2065. [ill] Prasad, B. V. V., Sasisekharan, V., Macroniolecu/es 1979, 12, 1107-11 10. [112] Bradbury, E. M., Brown, L., Downie, A. R., Elliott, A,, Fraser, R. D. B., Hanby, W. E., J. Mol. Bid. 1962, 5, 230-247. [I 131 McGuire, R. E., Vanderkooi, G., Momany, F. A,, Ingwall, R. T.. Crippen, G. M., Lotan, N., Tuttle, R. W.. Kashuba, K. L., Scheraga, H. A,, M~/croniolecules 1971, 4, 112-124. [114] Nambudripad, R., Bansal, M., Sasisekharan, V., Int. J. Peptide Protein Re.7. 1981, 18, 374- 382. [115] Saski, S.: Yasumoto, Y.. Uematsu, I., Mucrornolecult~s 1981, 14, 1797-1801. [I 161 Low, B., Grenville-Wells, H. J., Proc. Narl. Acud Sci. US. A. 1953, 39, 785-801. 11171 Donohue, J., Froc. Nutl. Acud Sci. U.S.A. 1953, 39, 470-478. [I181 Urry, D. W., Pvoc. Nutl. Acad. Sci. U.S.A. 1971, 68, 672-676. [I191 Lotz, B., Colonna-Cesari, F.? Heitz, F.. Spach, G., J. Mol. Biol. 1976, 106, 915-942. [I201 Crick, F. H. C., Rich, A,, Nuture 1955. 176, 780-781. [121] Krimm, S., Nature 1966,212, 1482-1483. [ 1221 Ramachandran, G. N., Ramakrishnan, C., Venkatachalam, C. M., in: Corzforinution of Biopolymers: Ramachandran, G. N. (Ed.) New York: Academic Press, 1967; Vol. 2, pp. 429- 438. [123] Dwivedi, A. M., Krinini, S., Biopolymeus 1982, 21, 2377-2397. 11241 Ramachandran, G. N., Sasisekharan, V., Ramakrishnan, C., Biochirn. Biophys. Actu 1966, 112, 168-170. [125] Krimm. S., Kuroiwa, K.. Rebane. T., in: Conformi~tion of' Biopoljwiers: Ramachandran, G. N. (Ed.) New York: Academic Press, 1967; Vol. 2, pp. 439-447. [126] Krimm. S., Kuroiwa, K., Biopol-viners 1968, 6, 401-407. [I271 Cowan, P. M., McGavin, S., Ni7ture 1955, 176, 501-503. [IZSJ Arnott, S., Dover, S. D., Actu Cr~~mllogr. 1968, B24, 599-601. 11291 Sasisekharan. V., Acfu Cry~t. 1959, 12, 897-903.
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Modern Polymer Spectroscopy Edited
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Modern Polymer Spectroscopy Edited
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Preface For unfortunate reasons the
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However, theory and calculations yi
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Contents 1 Two-Dimensional Infrared
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Con ten t~ xi Index 5.2 Force Field
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Contributors M. Del Zoppo Dipartime
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1 Two-Dimensional Infrared (2D IR)
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1.2 Brick~qrorrnrl 3 . Figure 1-3.
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1.0 , Figure 1-6. The in-phtrse and
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1.2 Bcrckgroinizd 7 where AA (i~) i
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1.2 Background 9 1.2.5 Two-Dimensio
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1.3 Bnsic Properties of 20 IR Corre
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2D IR spectrometer coupled with a d
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1.5 Applirtrtions 15 Unlike a dispe
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\ '\ Melliyleiie 1'7- -3000 Posiliv
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11 Amorphous Crystalline ,...." I F
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1.5 Applications 21 / I 1430 Figure
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1.5 Appliccitioiis 23 Methylene Fig
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1.5 Ajqdicrrtions 25 3024 Figure 1-
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1.5 Applicutions 27 Furthermore. th
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1.7 Coizclirsions 29 derived in a s
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1.9 References 31 [9] Colthup, N. B
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2 Segmental Mobility of Liquid Crys
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SRMPLE/DETECTOR e3 ‘retardation
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2.4 Srvuc me-Dependenr Alignment 37
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2.5 Electric Field-Innductid Orirnt
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2.5 Electric Field-nclticetl Orient
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a -@ COWER SRHPLE ._ 2.5 Elec tric
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2.5 Electric Field-Itzduced Orienta
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2.5 Electric Field-IwrElrced Orient
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2.5 Electric Field-Im/irced Orientu
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2.5 Electric Field-Induced Orientli
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2.5 Electric Field-Induced Orientat
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2.5 Electric Field-Induced Orienfat
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2.5 Elrc tric Field-Iiidircwl Orim
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2500 2008 I s00 WRVtNdMRtR CM-I Fig
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-3.6 Aligmient OJ' Side- Clinin Liy
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~ polyester 2.6 Alignnient qf Side-
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I." 0.9 0.8 Figure 2-34. FTlR 0.7 p
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induced alignment of the investigat
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2.7 Orientation oj Liquid Ci:i,stal
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2.7 Orieritation of Liquid Ciysttrl
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0 8 18 16 1 a W u z a m a 0 Ln m Q
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2.7 Orientation oj Liquid Crystals
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2.7 Orientation of Liquid Crjvtals
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2.7 Orientatioiz of Liquid Crystals
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2.8 Conclusions 81 strain. As A0 is
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3. I0 Refcreiice.r 83 [I 71 Hoffina
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2.10 References 85 [92] Wiesner, U.
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t Order/Disorder in Chain Molecules
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onds which hold atoms together thro
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3.2 The Dyriamical Case qf Simll ar
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3.2 The Dyrinniical Case of Sinnll
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3.4 S11or.f- and Loizg-Rcrizye Vibr
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3.4 Slzort- and Loiig-Range Vibrati
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eyularity), e.g., 2. During the pol
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3.5 Towards Lnrger Molecules: From
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3.5 TOIIYW~ Laiyer Molertiles: Fvoi
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3.5 Towmu" Larger Molecules: F~om O
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1700 - CIO --- ca c 22 _- c 12 l l
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3.6 From Dynamics to Vibrational Sp
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3.6 Froin Dynaiiiics to T’ihratio
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3.7 The Case of Isotactic Polypropy
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3.7 The Cuse of Isotactic Polypvop.
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3.8 Density of Vibrational States a
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3.8 Dtvz.sit,v of L’ihrntioizal S
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3.8 Driisity of Vibratioiid StLitrs
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3 9 Mouiiiq ToIvmds Rerrlitv: From
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3.9 Moving Towards Reality: From Or
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3.9 Moving Towards Reality: Froin O
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3.10 Wlmt Do We Learn from Cnlcailc
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+ 3.11 A Very Siriiple Ccrse: Latti
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3 I1 A Yey) Siiiiple Case: LLittice
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3.11 A Vq> Siiiiplc Crrw: Luttice D
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Figure 3-22. Sample eigenvectors in
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3.12 CIS-trans Opening @the Double
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3.13 Defect Modes cis Structtrr.al
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3.13 Defect Mo&s cis Structurcil Pr
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0 3.14 Case Studies N 0 d - Y N o m
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3.14 Case Studies 147 OC 60 58 57.
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3.14 Case Studies 149 GI A V E N U
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3.14 Case Studies 15 1 correspond t
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3.14 Case Studies 153 (I10 + 200) +
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3.14 Case Studies 155 1500 1480 146
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3.14 Case Studies 157 the molecular
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17E (ir 1, R): (iii) z = 4, t = 1,
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3.16 Stnictural Znlioi~zogeneity an
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3.1 7 Fermi Resonancrs 163 stants.
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3.1 7 Femi Resorinnces 165 2 L 1 29
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lowing. The CHl-bending mode 6 [cer
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3.17 Ferini Re.sonrriire.s 169 a Fi
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3. I7 Fernii Resoiiances 17 1 terin
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3.18 Band Broadening and Confonnati
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3.18 Bmd Brourleiziriy md Cmforrnat
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3.18 Band Bvoaderiing arid Conjonna
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3.18 Band Broadening and Confornmti
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3.19 A Worked E.utinple 181 pre-mel
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3.19 A Wovh-ecl E.uanzple 183
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3.19 A Worked Example 185 19 5°C 2
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3.19 A Workrd Example 187 Figure 3-
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3.19 A Worked E.rcnniplr 189 LAM I
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3.19 A Worked E.xuniple 191 Figure
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3.19 A Worked E.vnn~yle 193 Figure
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3.19 A Worked E.vnrqde 195 009.1 00
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3.19 A Worked Example 197 existence
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3.1 9 A Worked Example 199 The soli
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3.20 References 201 very important,
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3.20 References 203 [41] M. Gussoni
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3.20 Refeeveiicrs 205 [I 171 P. Jon
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4 Vibrational Spectroscopy of Intac
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4.3 Georrietvy oj Intuct Po1vniev.r
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1'45 4.4 Geometric Chunges I?zditce
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4.4 Geometric Chmges Iiid~lrcecl bj
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4 5 Mer1iodolog.v of Raiii~11 Studi
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4.7 Poly(p-pheiq.lene) 217 with an
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4.7 Pol)~(p-pheiz~~lene) 219 ENERGY
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is worthwhile pointing out that the
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~ ~ ~ ~ ~ ~ ~ ~ ~ ~ ~ 801 Table 4-3
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4.7 Poly(y-phenylene) 225 Figure 4-
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Table 4-4. Observed Raman frequenci
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4.8 Other Polwieys 229 Table 4-5. T
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under various models. According to
Page 248 and 249: 4. I0 Mechnriism oj Charge. Transpo
Page 250 and 251: 4.12 Reftrences 235 [ 131 Kuzmany,
Page 252 and 253: 4.12 References 237 [98j Matsunuma,
Page 254 and 255: 5 Vibrational Spectroscopy of Polyp
Page 256 and 257: 5.2 FOYCC Fields 241 such calculati
Page 258 and 259: 5.2 Force Fields 243 accounts for o
Page 260 and 261: 5.2 Force Fields 245 centers of the
Page 262 and 263: 5.2 Force Fields 247 ture with conf
Page 264 and 265: 5.3 Amide Modes 249 to the nh initi
Page 266 and 267: 5.3 Ainide Modes 251 Table 5-1. Ami
Page 268 and 269: Table 5-2. Some amide modes of four
Page 270 and 271: 5.3 Amidc Modes 255 Figure 5-1. Opt
Page 272 and 273: 5.4 Polypeptides 257 nonhydrogen-bo
Page 274 and 275: 5.4 Polvpeptida 259 Figure 5-2. Ant
Page 276 and 277: I 5.4 Polypeptides 261 )I .- + $ 80
Page 278 and 279: 1226M 1222s (1 1165W 1167s (1 1120V
Page 280 and 281: 135s 9 1 Ms1i 122Wbr 147 NH ob(37)
Page 282 and 283: 5.4 Polypeptides 267 glycine residu
Page 284 and 285: 5.4 Polypeptides 269 Raman bands in
Page 286 and 287: 5.4 Polypeptides 271 Figure 5-7. St
Page 288 and 289: Frequency (cm-'1 100% b 700 500 300
Page 290 and 291: 5.4 Polypptidt~s 215 Table 5-9. Obs
Page 292 and 293: ~~ ~~ ~~~ ~ ~ ~~ 5.4 Polypeptides 2
Page 294 and 295: 5.4 Poliyeptides 219 Table 5-11. Co
Page 296 and 297: Table 5-12. Aniide mode frequencies
Page 300 and 301: 5.6 Refeverices 285 [130] Tiffany,
Page 302 and 303: Index Amide modes 249 Amorphous pol
Page 304 and 305: Step-scan FTIR spectroscopy 14,34 -
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