Jerome Karle - Publications

Affiliations: 
U.S. Naval Research Laboratory, Washington, DC, United States 
Area:
Physical chemistry, structural chemistry
Website:
http://nobelprize.org/nobel_prizes/chemistry/laureates/1985/karle.html

82 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2010 KARLE JM, KARLE IL. ChemInform Abstract: Structure of 9-Epiquinine Hydrochloride Dihydrate versus Antimalarial Activity. Cheminform. 24: no-no. DOI: 10.1002/chin.199309236  0.47
2010 KARLE JM, KARLE IL. ChemInform Abstract: Structure of the Antimalarial (.+-.)-Mefloquine Hydrochloride. Cheminform. 23: no-no. DOI: 10.1002/chin.199207262  0.491
2010 KARLE JM, KARLE IL. ChemInform Abstract: Structure of the Radiation Protection Agent S-2-(5-Aminopentylamino) ethylphosphorothioic Acid (WR 2823) Dihydrate. Cheminform. 22: no-no. DOI: 10.1002/chin.199138054  0.423
2009 Huang L, Massa L, Karle I, Karle J. Calculation of strong and weak interactions in TDA1 and RangDP52 by the kernel energy method. Proceedings of the National Academy of Sciences of the United States of America. 106: 3664-9. PMID 19234108 DOI: 10.1073/Pnas.0900403106  0.509
2009 Huang L, Massa L, Karle J. Kernel energy method applied to vesicular stomatitis virus nucleoprotein. Proceedings of the National Academy of Sciences of the United States of America. 106: 1731-6. PMID 19188588 DOI: 10.1073/Pnas.0811959106  0.307
2009 Karle J. Some developments in anomalous dispersion for the structural investigation of macromolecular systems in biology International Journal of Quantum Chemistry. 18: 387-397. DOI: 10.1007/978-94-009-4027-7_17  0.311
2009 Gilardi R, Karle J. Fibrous structures: Their character and the role of interatomic forces in their analysis International Journal of Quantum Chemistry. 14: 103-126. DOI: 10.1002/Qua.560140713  0.343
2008 Huang L, Massa L, Karle J. Calculated interactions of a nitro group with aromatic rings of crystalline picryl bromide. Proceedings of the National Academy of Sciences of the United States of America. 105: 13720-3. PMID 18780785 DOI: 10.1073/Pnas.0807218105  0.348
2008 Huang L, Massa L, Bernal I, Karle J. The OH-anion acting as an acid. The Journal of Chemical Physics. 128: 024703. PMID 18205462 DOI: 10.1063/1.2821105  0.369
2007 Wallace S, Huang L, Massa L, Mukhopadhyay U, Bernal I, Karle J. The structures of cyclic dihydronium cations. Proceedings of the National Academy of Sciences of the United States of America. 104: 16798-803. PMID 17942671 DOI: 10.1073/Pnas.0708249104  0.403
2005 Karle I, Karle J. Gas electron diffraction and its influence on the solution of the phase problem in crystal structure determination Structural Chemistry. 16: 5-16. DOI: 10.1007/978-3-319-19827-9_3  0.513
2003 Karle J, Huang L. The glue that holds crystals together: A review Journal of Molecular Structure. 647: 9-16. DOI: 10.1016/S0022-2860(02)00516-1  0.328
2002 Karle JM, Karle IL. Crystal structure of (-)-mefloquine hydrochloride reveals consistency of configuration with biological activity. Antimicrobial Agents and Chemotherapy. 46: 1529-34. PMID 11959592 DOI: 10.1128/AAC.46.5.1529-1534.2002  0.503
2001 Arrow KJ, Axelrod J, Benacerraf B, Berg P, Bishop JM, Bloembergen N, Brown HC, Cibelli J, Cohen S, Cooper LN, Corey EJ, Cronin JW, Curl R, Dulbecco R, Fischer EH, ... ... Karle J, et al. Nobel laureates' letter to President Bush. The Washington Post. A02. PMID 12462241  0.446
1999 Konnert J, Karle J, Karle IL, Uma K, Balaram P. Isomorphous replacement combined with anomalous dispersion in the linear equations: application to a crystal containing four nonapeptide conformers. Acta Crystallographica. Section D, Biological Crystallography. 55: 448-57. PMID 10089354 DOI: 10.1107/S0907444998011081  0.496
1997 Karle JM. X-ray crystal structure of the antimalarial agent (-)-halofantrine hydrochloride supports stereospecificity for cardiotoxicity. Antimicrobial Agents and Chemotherapy. 41: 791-4. PMID 9087491 DOI: 10.1128/AAC.41.4.791  0.309
1996 Huang L, Massa L, Karle J. Kernel projector matrices for Leu1-zervamicin International Journal of Quantum Chemistry. 60: 1691-1700. DOI: 10.1002/(Sici)1097-461X(1996)60:7<1691::Aid-Qua52>3.0.Co;2-0  0.335
1993 Gilardi R, George C, Karle J, Eaton PE, Fisher AM. Aza-analogues of cage compounds: Potential precursors to azacubanes and 1- azahomocubanes Journal of Heterocyclic Chemistry. 30: 1385-1388. DOI: 10.1002/Jhet.5570300534  0.332
1992 Karle JM, Karle IL, Gordon RK, Chiang PK. Relationship of three-dimensional structure of muscarinic antagonists to antimuscarinic activity: structure of thiodeacylaprophen hydrochloride. Acta Crystallographica. Section B, Structural Science. 48: 208-13. PMID 1515109 DOI: 10.1107/S0108768191013149  0.502
1992 Karle JM, Karle IL, Gerena L, Milhous WK. Stereochemical evaluation of the relative activities of the cinchona alkaloids against Plasmodium falciparum. Antimicrobial Agents and Chemotherapy. 36: 1538-44. PMID 1510452 DOI: 10.1128/AAC.36.7.1538  0.51
1992 Karle JM, Karle IL. Structure of 9-epiquinine hydrochloride dihydrate versus antimalarial activity. Acta Crystallographica. Section C, Crystal Structure Communications. 48: 1975-80. PMID 1457075 DOI: 10.1107/S0108270192002373  0.49
1992 Karle JM, Karle IL, Leader H, Breuer E, Newman AH, Gordon RK, Chiang PK. Relationship of the crystal structure of γ-N,N-dimethylaminopropyl 2,2-diphenylpropionate hydrochloride to antimuscarinic activity Journal of Crystallographic and Spectroscopic Research. 22: 485-491. DOI: 10.1007/BF01195411  0.471
1991 Karle J. Direct calculation of atomic coordinates from diffraction intensities: space group P1. Proceedings of the National Academy of Sciences of the United States of America. 88: 10099-103. PMID 1946429 DOI: 10.1073/Pnas.88.22.10099  0.323
1991 Karle JM, Karle IL. Crystal structure and molecular structure of mefloquine methylsulfonate monohydrate: implications for a malaria receptor. Antimicrobial Agents and Chemotherapy. 35: 2238-45. PMID 1803997 DOI: 10.1128/AAC.35.11.2238  0.524
1991 Karle J. Some additional features of one-wavelength anomalous dispersion. Acta Crystallographica. Section a, Foundations of Crystallography. 47: 537-43. PMID 1659427 DOI: 10.1107/S0108767391003914  0.301
1991 Karle JM, Karle IL. Structure of the antimalarial (±)-mefloquine hydrochloride Acta Crystallographica Section C Crystal Structure Communications. 47: 2391-2395. DOI: 10.1107/S0108270191005796  0.408
1991 Karle JM, Karle IL. Structure of the radiation protection agent S-2-(5-aminopentylamino)ethylphosphorothioic acid (WR 2823) dihydrate Acta Crystallographica Section C Crystal Structure Communications. 47: 1242-1245. DOI: 10.1107/S0108270190010745  0.416
1990 Karle JM, Karle IL, Chiang PK. Structural comparison of the potent antimuscarinic agent azaprophen hydrochloride with aprophen hydrochloride and structurally related antimuscarinic agents. Acta Crystallographica. Section B, Structural Science. 46: 215-22. PMID 2344395 DOI: 10.1107/S0108768189010967  0.487
1989 Karle JM, Karle IL. Crystal and molecular structure of the antimalarial agent enpiroline. Antimicrobial Agents and Chemotherapy. 33: 1081-9. PMID 2782859 DOI: 10.1128/AAC.33.7.1081  0.518
1989 Karle J. Direct methods in protein crystallography. Acta Crystallographica. Section a, Foundations of Crystallography. 45: 765-81. PMID 2692631 DOI: 10.1107/S0108767389007403  0.334
1989 Karle JM, Karle IL. Structure of the antimalarial halofantrine hydrochloride. Acta Crystallographica. Section C, Crystal Structure Communications. 45: 1248-50. PMID 2604946 DOI: 10.1107/S0108270189002210  0.482
1989 KARLE JM, KARLE IL. ChemInform Abstract: Structure of the Antimalarial Halofantrine Hydrochloride Cheminform. 20. DOI: 10.1002/chin.198947053  0.491
1988 Karle JM, Karle IL. Crystal and molecular structure of the antimalarial agent 4-(tert-butyl)-2-(tert-butylaminomethyl)-6-(4-chlorophenyl)phenol dihydrogen phosphate (WR 194,965 phosphate). Antimicrobial Agents and Chemotherapy. 32: 540-6. PMID 3288114 DOI: 10.1128/AAC.32.4.540  0.502
1988 Karle JM, Karle IL. Structure of the radiation protection agent S-3-(3-methylaminopropylamino)propylphosphorothioic acid (WR 151,327). Acta Crystallographica. Section C, Crystal Structure Communications. 44: 1218-21. PMID 3271548 DOI: 10.1107/S0108270188002203  0.474
1988 Karle JM, Karle IL. Redetermination of the crystal and molecular structure of the antimalarial chloroquine bis(dihydrogenphosphate) dihydrate. Acta Crystallographica. Section C, Crystal Structure Communications. 44: 1605-8. PMID 3271099 DOI: 10.1107/S0108270188004652  0.478
1988 Karle JM, Karle IL. Structure of the radiation protection agent S-2-(3-aminopropylamino)ethylphosphorothioic acid (WR 2721). Acta Crystallographica. Section C, Crystal Structure Communications. 44: 135-8. PMID 2856039 DOI: 10.1107/S0108270187007911  0.467
1986 Karle IL, Karle JM, Nielsen CJ. On the SiOSi angle in 1,2-di-tert-butyl-1,1,2,2-tetraphenyldisiloxane Acta Crystallographica Section C Crystal Structure Communications. 42: 64-67. DOI: 10.1107/S0108270186097299  0.378
1985 George C, Lowrey AH, Karle J. Molecular structure of 3,3-bisazidomethyloxetane Journal of Molecular Structure. 127: 107-114. DOI: 10.1002/Chin.198523054  0.349
1983 Camerman A, Mastropaolo D, Karle I, Karle J, Camerman N. Crystal structure of leucine-enkephalin. Nature. 306: 447-50. PMID 6646225 DOI: 10.1038/306447A0  0.552
1981 Karle IL, Karle J. Anomalous dispersion of sulfur in quinidine sulfate, (C(20)H(25)N(2)O(2))(2)SO(4).2H(2)O: Implications for structure analysis. Proceedings of the National Academy of Sciences of the United States of America. 78: 5938-41. PMID 16593097 DOI: 10.1073/Pnas.78.10.5938  0.525
1981 Karle IL, Karle J. Conformation of cyclo(Gly-L-Pro-L-Pro-Gly-L-Pro-L-Pro)(2)Mg complex crystallized from CH(3)CN solution. Proceedings of the National Academy of Sciences of the United States of America. 78: 681-5. PMID 16592971 DOI: 10.1073/Pnas.78.2.681  0.499
1980 Karle JM, Cysyk RL, Karle IL. Structural comparison of m-AMSA (C21H19N3O3S), a new clinically active antitumor agent, with the less-active related compounds 2-MeO-AMSA (C21H19N3O3S) and AMSA (C20H17N3O2S) Acta Crystallographica Section B Structural Crystallography and Crystal Chemistry. 36: 3012-3016. DOI: 10.1107/S0567740880010709  0.408
1979 Lowrey AH, George C, D'Antonio P, Karle J. An electron diffraction investigation of the structure of hexafluoropropene combined with infrared and microwave spectroscopy Journal of Molecular Structure. 53: 189-196. DOI: 10.1016/0022-2860(79)80341-5  0.321
1979 Lowrey AH, George C, D'antonio P, Karle J. An Electron Diffraction Investigation Of The Structure Of Hexafluoropropene Combined With Infrared And Microwave Spectroscopy Cheminform. 10. DOI: 10.1002/Chin.197935072  0.321
1978 Karle J. Structure determination of crystalline substances by diffraction methods: Philosophic concepts and their implementation (A Review) Proceedings of the National Academy of Sciences of the United States of America. 75: 3540-3547. DOI: 10.1073/Pnas.75.8.3540  0.383
1977 Karle IL, Karle JM, Egan W, Zon G, Brandt JA. Absolute configuration of (+)-cyclophosphamide. A crystal and molecular structure determination by X-ray diffraction. Journal of the American Chemical Society. 99: 4803-7. PMID 874232 DOI: 10.1021/ja00456a044  0.493
1977 Karle J. Structure Determination of Gaseous and Amorphous Substances by Diffraction Methods: Philosophical Concepts and their Implementation (A Review) Proceedings of the National Academy of Sciences of the United States of America. 74: 4707-4713. DOI: 10.1073/Pnas.74.11.4707  0.325
1977 KARLE IL, KARLE JM, EGAN W, ZON G, BRANDT JA. ChemInform Abstract: ABSOLUTE CONFIGURATION OF (+)-CYCLOPHOSPHAMIDE. A CRYSTAL AND MOLECULAR STRUCTURE DETERMINATION BY X-RAY DIFFRACTION Chemischer Informationsdienst. 8. DOI: 10.1002/chin.197741068  0.498
1976 Karle IL, Karle J, Wieland T, Burgermeister W, Witkop B. Conformation of uncomplexed [Phe4, Val6] antamanide crystallized from nonpolar solvents. Proceedings of the National Academy of Sciences of the United States of America. 73: 1782-5. PMID 1064851 DOI: 10.1073/Pnas.73.6.1782  0.543
1973 Karle IL, Karle J, Wieland T, Burgermeister W, Faulstich H, Witkop B. Conformations of the li-antamanide complex and na-[phe, val]antamanide complex in the crystalline state. Proceedings of the National Academy of Sciences of the United States of America. 70: 1836-40. PMID 16592096 DOI: 10.1073/Pnas.70.6.1836  0.497
1973 Hendrickson WA, Karle J. Carp muscle calcium-binding protein. 3. Phase refinement using the tangent formula. The Journal of Biological Chemistry. 248: 3327-34. PMID 4735582  0.364
1973 Hendrickson WA, Love WE, Karle J. Crystal structure analysis of sea lamprey hemoglobin at 2 angstrom resolution. Journal of Molecular Biology. 74: 331-61. PMID 4692855 DOI: 10.1016/0022-2836(73)90377-X  0.722
1973 KARLE JM, KARLE IL. ChemInform Abstract: BEZIEHUNG ZWISCHEN RK.-GESCHWINDIGKEITSBESCHLEUNIGUNG UND ROTATIONS-EINSCHRAENKUNG, KRISTALLSTRUKTURANALYSE VON VERBINDUNGEN MIT EINEM ′TRIALKYL-LOCK′ Chemischer Informationsdienst. 4: no-no. DOI: 10.1002/chin.197310102  0.365
1972 Karle JM, Karle IL. Correlation of reaction rate acceleration with rotational restriction. Crystal-structure analysis of compounds with a trialkyl lock Journal of the American Chemical Society. 94: 9182-9189. DOI: 10.1021/ja00781a032  0.463
1971 Fujimoto Y, Irreverre F, Karle JM, Karle IL, Witkop B. Synthesis and x-ray analysis of cis-3,4-methylene-L-proline, the new natural amino acid from horse chestnuts, and of its trans isomer. Journal of the American Chemical Society. 93: 3471-7. PMID 5105372 DOI: 10.1021/Ja00743A030  0.406
1971 Hendrickson WA, Karle J. The crystal structure of l-cysteic acid monohydrate Acta Crystallographica Section B Structural Crystallography and Crystal Chemistry. 27: 427-431. DOI: 10.1107/S0567740871002322  0.547
1971 Moriarty RM, Mukherjee R, Flippen JL, Karle J. Synthesis and X-ray molecular structure of a mesoionic 2-methylene-1,3,4- thiadiazole Journal of the Chemical Society D: Chemical Communications. 1436-1437. DOI: 10.1039/C29710001436  0.316
1971 Gilardi R, Karle IL, Karle J, Sperling W. Crystal structure of the visual chromophores, 11-cis and all-trans retinal [10] Nature. 232: 187-189. DOI: 10.1038/232187C0  0.466
1971 Lowrey AH, George C, D'Antonio P, Karle J. Structure of acetylacetone by electron diffraction Journal of the American Chemical Society. 93: 6399-6403. DOI: 10.1021/Ja00753A011  0.333
1971 FUJIMOTO Y, IRREVERRE F, KARLE JM, KARLE IL, WITKOP B. ChemInform Abstract: SYNTH. UND ROENTGENSTRUKTURANALYSE VON CIS-3,4-METHYLEN-L-PROLIN, DER NEUEN NATUERLICHEN AMINOSAEURE AUS ROSSKASTANIEN, UND IHRES TRANS-ISOMEREN Chemischer Informationsdienst. Organische Chemie. 2: no-no. DOI: 10.1002/Chin.197140309  0.387
1971 KARLE IL, KARLE J. ChemInform Abstract: IDENTIFIZIERUNG UND KRISTALLSTRUKTUR VON 7-HYDROXY-1,9,10-TRIMETHOXY-4-AZABICYCLO(5,2,2)-UNDECADIEN-(8,10)-ON-(3), EINEM PHOTOLYSEPRODUKT AUS N-CHLOR-ACETYLMESCALIN Chemischer Informationsdienst. Organische Chemie. 2: no-no. DOI: 10.1002/Chin.197102115  0.455
1971 Fujimoto Y, Irreverre F, Karle JM, Karle IL, Witkop B. Synthesis and x-ray analysis of cis-3,4-methylene-L-proline, the new natural amino acid from horse chestnuts, and of its trans isomer Journal of the American Chemical Society. 93: 3471-3477.  0.406
1970 Karle IL, Karle J. The identification and crystal structure of 7-hydroxy-1,9,10-trimethoxy-4-azabicyclo[5.2.2] undeca-8,10-dien-3-one, a photolysis product from N-chloroacetylmescaline Acta Crystallographica. Section B: Structural Crystallography and Crystal Chemistry. 26: 1276-1282. PMID 5537183 DOI: 10.1107/S0567740870004004  0.49
1970 Konnert J, Karle IL, Karle J. The structure of dihydrothymidine Acta Crystallographica. Section B: Structural Crystallography and Crystal Chemistry. 26: 770-778. PMID 5536178 DOI: 10.1107/S0567740870003102  0.541
1970 Karle IL, Gibson JW, Karle J. The conformation and crystal structure of the cyclic polypeptide Gly-Gly-D-Ala-D-Ala-Gly-Gly·3H2O Journal of the American Chemical Society. 92: 3755-3760. PMID 5422773 DOI: 10.1021/Ja00715A037  0.52
1970 Flippen JL, Karle J, Karle IL. The crystal structure of a versatile organic clathrate. 4-p-hydroxyphenyl-2,2,4-trimethylchroman (Dianin's compound) Journal of the American Chemical Society. 92: 3749-3755. DOI: 10.1021/Ja00715A036  0.527
1970 KONNERT J, KARLE IL, KARLE J. ChemInform Abstract: KRISTALLSTRUKTUR VON DIHYDROTHYMIDIN Chemischer Informationsdienst. Organische Chemie. 1: no-no. DOI: 10.1002/Chin.197043188  0.442
1970 KARLE IL, GIBSON JW, KARLE J. ChemInform Abstract: KONFORM. UND KRISTALLSTRUKTUR VON CYCLO-GLY-GLY-D-ALA-D-ALA-GLY-GLY.3H2O Chemischer Informationsdienst. Organische Chemie. 1: no-no. DOI: 10.1002/Chin.197037149  0.44
1970 FLIPPEN JL, KARLE J, KARLE IL. ChemInform Abstract: KRISTALLSTRUKTUR EINES VIELSEITIGEN ORGANISCHEN CLATHRATS, 4-(P-HYDROXY-PHENYL)-2,2,4-TRIMETHYL-CHROMAN (DIANIN′SCHE VERBINDUNG) Chemischer Informationsdienst. Organische Chemie. 1: no-no. DOI: 10.1002/Chin.197037148  0.449
1970 KARLE IL, GIBSON JW, KARLE J. ChemInform Abstract: IDENTIFIZIERUNG UND KRISTALLSTRUKTUR VON 1,2,5A,7B-TETRAHYDRO-5A,5B-DIMETHOXY-5BH-CYCLOBUTA(1,4)CYCLOBUTA(1,2,3-G,H)PYRROLIZIN-4(5H)-ON(II), EINEM PHOTOLYSE-PRODUKT VON N-CHLORACETYL-3,4-DIMETHOXY-PHENAETHYLAMIN(I) Chemischer Informationsdienst. Organische Chemie. 1: no-no. DOI: 10.1002/Chin.197001138  0.443
1969 Karle IL, Karle J. The crystal structure of digitoxigenin, C23H34O4 Acta Crystallographica. Section B: Structural Crystallography and Crystal Chemistry. 25: 434-442. PMID 5820224  0.511
1969 Karle IL, Gibson JW, Karle J. The identification and crystal structure of 1,2,5a,7b-tetrahydro-5a,5b-dimethoxy-5bH-cyclobuta[1,4]cyclobuta[l,2,3-gh]pyrrolizin-4(5H)-one, a photolysis product from N-chloroacetyl-3,4-dimethoxyphenethylamine Acta Crystallographica Section B Structural Crystallography and Crystal Chemistry. 25: 2034-2039. DOI: 10.1107/S0567740869005115  0.497
1969 Karle IL, Gilardi RD, Fratini AV, Karle J. The crystal structures of DL-cyclazocine and L-cyclazocine.HBr.H2O, and the absolute configuration of L-cyclazocine.HBr.H2O (2-cyclopropylmethyl-2'-hydroxy-5,9-dimethyl-6,7-benzomorphan) Acta Crystallographica Section B Structural Crystallography and Crystal Chemistry. 25: 1469-1479. DOI: 10.1107/S0567740869004225  0.52
1968 Karle IL, Karle J. The crystal structure of the alkaloid reserpine, C33H40N209 Acta Crystallographica. Section B: Structural Crystallography and Crystal Chemistry. 24: 81-91. PMID 5694643 DOI: 10.1107/S0567740868001731  0.515
1968 Tokuyama T, Daly J, Witkop B, Karle IL, Karle J. The structure of batrachotoxinin A, a novel steroidal alkaloid from the Colombian arrow poison frog, Phyllobates aurotaenia. Journal of the American Chemical Society. 90: 1917-8. PMID 5689118 DOI: 10.1021/Ja01009A052  0.531
1967 Karle J, Estlin JA, Karle IL. Structure of 6-hydroxycrinamine Journal of the American Chemical Society. 89: 6510-6515. DOI: 10.1021/Ja01001A024  0.541
1966 Karle IL, Karle J, Britts K. The crystal structures of the isomers trans- and cis-1,2-Dibromo-1,2-dicarbomethoxycyclobutane Journal of the American Chemical Society. 88: 2918-2921. DOI: 10.1021/Ja00965A007  0.362
1965 Moriarty RM, Romain CR, Karle IL, Karle J. The Structure of Anemonin Journal of the American Chemical Society. 87: 3251-3252. DOI: 10.1021/Ja01092A047  0.541
1964 Karle IL, Karle J, Moriarty RM. The structure and stereochemistry of 2-p-methoxyphenyl-3,4-dibenzyl-1,3,4-thiadiazolidine-5-thione by x-ray analysis Tetrahedron Letters. 5: 3579-3582. DOI: 10.1016/0040-4039(64)83160-9  0.308
1949 Karle IL, Karle J. Internal Motion and Molecular Structure Studies by Electron Diffraction The Journal of Chemical Physics. 17: 1052-1058. DOI: 10.1063/1.1747111  0.514
1947 Karle IL, Hoober D, Karle J. An Improved Microphotometer Trace of Radially Symmetric Patterns The Journal of Chemical Physics. 15: 765-765. DOI: 10.1063/1.1746327  0.412
1947 Karle J, Karle IL. An Objective Method for Studying Electron Diffraction by Gases The Journal of Chemical Physics. 15: 764-765. DOI: 10.1063/1.1746325  0.444
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