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[交流] 125篇引用最高的JACS论文

rank   citations   author(s)     title     year,   volume,     pages
1 10638 Lineweaver, H.; Burk, D. The Determination of Enzyme Dissociation Constants 1934, 56, 658–666

2 7623 Dewar, M. J. S.; Zoebisch, E. G.; Healy, E. F.; Stewart, J. J. P. AM1: A New General Purpose Quantum Mechanical Molecular Model 1985, 107, 3902–3909

3 5373 Dewar, M. J. S.; Thiel, W. Ground States of Molecules. 38. The MNDO Method. Approximations and Parameters 1977, 99, 4899–4907

4 4808 Brunauer, S.; Emmett, P. H.; Teller, E. Adsorption of Gases in Multimolecular Layers 1938, 60, 309–319

5 4450 Merrifield, R. B. Solid Phase Peptide Synthesis. I. The Synthesis of a Tetrapeptide 1963, 85, 2149–2154

6 2920 Onsager, L. Electric Moments of Molecules in Liquids 1936, 58, 1486–1493

7 2799 Binkley, J. S.; Pople, J. A.; Hehre, W. J. Self-Consistent Molecular Orbital Methods. 21. Small Split-Valence Basis Sets for First-Row Elements 1980, 102, 939–947

8 2720 Allinger, N. L. Conformational Analysis. 130. MM2. A Hydrocarbon Force Field Utilizing V1 and V2 Torsional Terms 1977, 99, 8127–8134

9 2698 Sweeley, C. C.; Bentley, R.; Makita, M.; Wells, W. W. Gas–Liquid Chromatography of Trimethylsilyl Derivatives of Sugars and Related Substances 1963, 85, 2497–2507

10 2673 Weiner, S. J.; Kollman, P. A.; Case, D. A.; Singh, U. C.; Ghio, C.; Alagona, G.; Profeta, S., Jr.; Weiner, P. A New Force Field for Molecular Mechanical Simulation of Nucleic Acids and Proteins 1984, 106, 765–784

11 2648 Benesi, H. A.; Hildebrand, J. H. A Spectrophotometric Investigation of the Interaction of Iodine with Aromatic Hydrocarbons 1949, 71, 2703–2707

12 2645 Pedersen, C. J. Cyclic Polyethers and Their Complexes with Metal Salts 1967, 89, 7017–7036

13 2603 Pearson, R. G. Hard and Soft Acids and Bases 1963, 85, 3533–3539

14 2522 Williams, M. L.; Landel, R. F.; Ferry, J. D. The Temperature Dependence of Relaxation Mechanisms in Amorphous Polymers and Other Glass-forming Liquids 1955, 77, 3701–3707

15 2384 Hammond, G. S. A Correlation of Reaction Rates 1955, 77, 334–338

16 2362 Cremer, D.; Pople, J. A. General Definition of Ring Puckering Coordinates 1975, 97, 1354–1358

17 2171 Karplus, M. Vicinal Proton Coupling in Nuclear Magnetic Resonance 1963, 85, 2870–2871

18 2074 Bingham, R. C.; Dewar, M. J. S.; Lo, D. H. Ground States of Molecules. XXV. MINDO/3. Improved Version of the MINDO Semiempirical SCF-MO Method 1975, 97, 1285–1293

19 2045 Boyer, P. D. Spectrophotometric Study of the Reaction of Protein Sulfhydryl Groups with Organic Mercurials 1954, 76, 4331–4337

20 2022 Bax, A.; Summers, M. F. Proton and Carbon-13 Assignments from Sensitivity-Enhanced Detection of Heteronuclear Multiple-Bond Connectivity by 2D Multiple Quantum NMR 1986, 108, 2093–2094

21 1974 Mulliken, R. S. Molecular Compounds and their Spectra. II 1952, 74, 811–824

22 1961 Dewar, M. J. S.; Thiel, W. Ground States of Molecules. 39. MNDO Results for Molecules Containing Hydrogen, Carbon, Nitrogen, and Oxygen 1977, 99, 4907–4917

23 1824 Corey, E. J.; Venkateswarlu, A. Protection of Hydroxyl Groups as tert-Butyldimethylsilyl Derivatives 1972, 94, 6190–6191

24 1636 Cohn, E. J.; Strong, L. E.; Hughes, W. L., Jr.; Mulford, D. J.; Ashworth, J. N.; Melin, M.; Taylor, H. L. Preparation and Properties of Serum and Plasma Proteins. IV. A System for the Separation into Fractions of the Protein and Lipoprotein Components of Biological Tissues and Fluids 1946, 68, 459–475

25 1631 Peterson, E. A.; Sober, H. A. Chromatography of Proteins. I. Cellulose Ion-Exchange Adsorbents 1956, 78, 751–755

Date Available: March 2003
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26 1588 Dale, J. A.; Mosher, H. S. Nuclear Magnetic Resonance Enantiomer Reagents. Configurational Correlations via Nuclear Magnetic Resonance Chemical Shifts of Diastereomeric d Mandelate, O-Methylmandelate, and -Methoxy--trifluoromethylphenylacetate (MTPA) Esters 1973, 95, 512–519

27 1469 Pople, J. A.; Gordon, M. Molecular Orbital Theory of the Electronic Structure of Organic Compounds. I. Substituent Effects and Dipole Moments 1967, 89, 4253–4261

28 1461 Hubbell, W. L.; McConnell, H. M. Molecular Motion in Spin-Labeled Phospholipids and Membranes 1971, 93, 314–326

29 1458 Borch, R. F.; Bernstein, M. D.; Durst, H. D. Cyanohydridoborate Anion as a Selective Reducing Agent 1971, 93, 2897–2904

30 1451 Altona, C.; Sundaralingam, M. Conformational Analysis of the Sugar Ring in Nucleosides and Nucleotides. New Description Using the Concept of Pseudorotation 1972, 94, 8205–8212

31 1431 Bothner-By, A. A.; Stephens, R. L.; Lee, J.; Warren, C. D.; Jeanloz, R. W. Structure Determination of a Tetrasaccharide: Transient Nuclear Overhauser Effects in the Rotating Frame 1984, 106, 811–813

32 1428 Wilson, G. M. Vapor–Liquid Equilibrium. XI. A New Expression for the Excess Free Energy of Mixing 1964, 86, 127–130

33 1415 Beck, J. S.; Vartuli, J. C.; Roth, W. J.; Leonowicz, M. E.; Kresge, C. T.; Schmitt, K. D.; Chu, C. T.-W.; Olson, D. H.; Sheppard, E. W.; McCullen, S. B.; Higgins, J. B.; Schlenker, J. L. A New Family of Mesoporous Molecular Sieves Prepared with Liquid Crystal Templates 1992, 114, 10834–10843

34 1369 Brown, H. C.; Okamoto, Y. Electrophilic Substituent Constants 1958, 80, 4979–4987

35 1367 Anderson, G. W.; Zimmerman, J. E.; Callahan, F. M. The Use of Esters of N-Hydroxysuccinimide in Peptide Synthesis 1964, 86, 1839–1842

36 1348 Sheehan, J. C.; Hess, G. P. A New Method of Forming Peptide Bonds 1955, 77, 1067–1068

37 1310 Hinze, J.; Jaffé, H. H. Electronegativity. I. Orbital Electronegativity of Neutral Atoms 1962, 84, 540–546

38 1304 Wani, M. C.; Taylor, H. L.; Wall, M. E.; Coggon, P.; McPhail, A. T. Plant Antitumor Agents. VI. Isolation and Structure of Taxol, a Novel Antileukemic and Antitumor Agent from Taxus brevifolia 1971, 93, 2325–2327

39 1299 Fujita, T.; Iwasa, J.; Hansch, C. A New Substituent Constant, , Derived from Partition Coefficients 1964, 86, 5175–5180

40 1294 Stork, G.; Brizzolara, A.; Landesman, H.; Szmuszkovicz, J.; Terrell, R. The Enamine Alkylation and Acylation of Carbonyl Compounds 1963, 85, 207–222

41 1294 Teo, B.-K.; Lee, P. A. Ab Initio Calculations of Amplitude and Phase Functions for Extended X-ray Absorption Fine Structure Spectroscopy 1979, 101, 2815–2832

42 1276 Langmuir, I. The Adsorption of Gases on Plane Surfaces of Glass, Mica and Platinum 1918, 40, 1361–1403

43 1274 Porter, M. D.; Bright, T. B.; Allara, D. L.; Chidsey, C. E. D. Spontaneously Organized Molecular Assemblies. 4. Structural Characterization of n-Alkyl Thiol Monolayers on Gold by Optical Ellipsometry, Infrared Spectroscopy, and Electrochemistry 1987, 109, 3559–3568

44 1261 Hansch, C.; Fujita, T. -- Analysis. A Method for the Correlation of Biological Activity and Chemical Structure 1964, 86, 1616–1626

45 1253 Kay, E. R. M.; Simmons, N. S.; Dounce, A. L. An Improved Preparation of Sodium Desoxyribonucleate 1952, 74, 1724–1726

Date Available: May 2003
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46 1251 Fuoss, R. M. Ionic Association. III. The Equilibrium between Ion Pairs and Free Ions 1958, 80, 5059–5061

47 1249 Kosower, E. M. The Effect of Solvent on Spectra. I. A New Empirical Measure of Solvent Polarity: Z-Values 1958, 80, 3253–3260

48 1223 Ammeter, J. H.; Buergi, H.-B.; Thibeault, J. C.; Hoffman, R. Counterintuitive Orbital Mixing in Semiempirical and ab Initio Molecular Orbital Calculations 1978, 100, 3686–3692

49 1222 Piantini, U.; Sorensen, O. W.; Ernst, R. R. Multiple Quantum Filters for Elucidating NMR Coupling Networks 1982, 104, 6800–6801

50 1216 Bain, C. D.; Troughton, E. B.; Tao, Y.-T.; Evall, J.; Whitesides, G. M.; Nuzzo, R. G. Formation of Monolayer Films by the Spontaneous Assembly of Organic Thiols from Solution onto Gold 1989, 111, 321–335

51 1203 Corey, E. J.; Chaykovsky, M. Dimethyloxosulfonium Methylide ((CH3)2SOCH2) and Dimethylsulfonium Methylide ((CH3)2SCH2). Formation and Application to Organic Synthesis 1965, 87, 1353–1364

52 1176 Mayo, F. R.; Lewis, F. M. Copolymerization. I. A Basis for Comparing the Behavior of Monomers in Copolymerization; The Copolymerization of Styrene and Methyl Methacrylate 1941, 66, 1594–1601

53 1138 Barrett, E. P.; Joyner, L. G.; Halenda, P. P. The Determination of Pore Volume and Area Distributions in Porous Substances. I. Computations from Nitrogen Isotherms 1951, 73, 373–380

54 1128 Katsuki, T.; Sharpless, K. B. The First Practical Method for Asymmetric Epoxidation 1980, 102, 5974–5976

55 1112 Vosburgh, W. C.; Cooper, G. R. Complex Ions. I. The Identification of Complex Ions in Solution by Spectrophotometric Measurements 1941, 63, 437–442

56 1101 Morris, G. A.; Freeman, R. Enhancement of Nuclear Magnetic Resonance Signals by Polarization Transfer 1979, 101, 760–762

57 1099 Huggins, M. L. The Viscosity of Dilute Solutions of Long-Chain Molecules. IV. Dependence on Concentration 1942, 64, 2716–2718

58 1093 Cotton, F. A.; Kraihanzel, C. S. Vibrational Spectra and Bonding in Metal Carbonyls. I. Infrared Spectra of Phosphine-substituted Group VI Carbonyls in the CO Stretching Region 1962, 84, 4432–4438

59 1086 Simon, E. J.; Shemin, D. The Preparation of S-Succinyl Coenzyme A 1953, 75, 2520–2520

60 1080 Taylor, R.; Kennard, O. Crystallographic Evidence for the Existence of C–HO, C–HN, and C–HCl Hydrogen Bonds 1982, 104, 5063–5070

61 1075 Lauher, J. W.; Hoffmann, R. Structure and Chemistry of Bis(cyclopentadienyl)–MLn Complexes 1976, 98, 1729–1742

62 1073 Gao, Y.; Hanson, R. M.; Klunder, J. M.; Ko, S. Y.; Masamune, H.; Sharpless, K. B. Catalytic Asymmetric Epoxidation and Kinetic Resolution: Modified Procedures Including in situ Derivatization 1987, 109, 5765–5780

63 1071 Swain, C. G.; Lupton, E. C., Jr. Field and Resonance Components of Substituent Effects 1968, 90, 4328–4337

64 1069 Pulay, P.; Fogarasi, G.; Pang, F.; Boggs, J. E. Systematic ab Initio Gradient Calculation of Molecular Geometries, Force Constants, and Dipole Moment Derivatives 1979, 101, 2550–2560

65 1067 Kielland, J. Individual Activity Coefficients of Ions in Aqueous Solutions 1937, 59, 1675–1678

Date Available: July 2003
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66 1063 Budzikiewicz, H.; Wilson, J. M.; Djerassi, C. Mass Spectrometry in Structural and Stereochemical Problems. XXXII. Pentacyclic Triterpenes 1963, 85, 3688–3699

67 1056 Flory, P. J. Statistical Thermodynamics of Liquid Mixtures 1965, 87, 1833–1838

68 1054 Allinger, N. L.; Yuh, Y. H.; Lii, J.-H. Molecular Mechanics. The MM3 Force Field for Hydrocarbons. 1 1989, 111, 8551–8566

69 1048 Gordon, M. S.; Binkley, J. S.; Pople, J. A.; Pietro, W. J.; Hehre, W. J. Self-Consistent Molecular-Orbital Methods. 22. Small Split-Valence Basis Sets for Second-Row Elements 1982, 104, 2797–2803

70 1013 Blodgett, K. B. Films Built by Depositing Successive Monomolecular Layers on a Solid Surface 1935, 57, 1007–1022

71 1012 Lipari, G.; Szabo, A. Model-Free Approach to the Interpretation of Nuclear Magnetic Resonance Relaxation in Macromolecules. 1. Theory and Range of Validity 1982, 104, 4546–4559

72 1002 Klopman, G. Chemical Reactivity and the Concept of Charge- and Frontier-Controlled Reactions 1968, 90, 223–234

73 1002 Metcalf, B. W.; Bey, P.; Danzin, C.; Jung, M. J.; Casara, P.; Vevert, J. P. Catalytic Irreversible Inhibition of Mammalian Ornithine Decarboxylase (E.C. 4.1.1.17) by Substrate and Product Analogs 1978, 100, 2551–2553

74 998 Hughes, E. W. The Crystal Structure of Melamine 1941, 63, 1737–1752

75 993 Brunauer, S.; Deming, L. S.; Deming, W. E.; Teller, E. On a Theory of the van der Waals Adsorption of Gases 1940, 62, 1723–1732

76 988 Zachariasen, W. H. The Atomic Arrangement in Glass 1932, 54, 3841–3851

77 969 Melby, L. R.; Harder, R. J.; Hertler, W. R.; Mahler, W.; Benson, R. E.; Mochel, W. E. Substituted Quinodimethans. II. Anion-radical Derivatives and Complexes of 7,7,8,8-Tetracyanoquinodimethan 1962, 84, 3374–3387

78 961 Tauster, S. J.; Fung, S. C.; Garten, R. L. Strong Metal-Support Interactions. Group 8 Noble Metals Supported on Titanium Dioxide 1978, 100, 170–175

79 950 Pauling, L. Atomic Radii and Interatomic Distances in Metals 1947, 69, 542–553

80 950 Chen, C.-S.; Fujimoto, Y.; Girdaukas, G.; Sih, C. J. Quantitative Analyses of Biochemical Kinetic Resolutions of Enantiomers 1982, 104, 7294–7299
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81 945 Kalyanasundaram, K.; Thomas, J. K. Environmental Effects on Vibronic Band Intensities in Pyrene Monomer Fluorescence and Their Application in Studies of Micellar Systems 1977, 99, 2039–2044

82 941 Åkerlöf, G. Dielectric Constants of Some Organic Solvent–Water Mixtures at Various Temperatures 1932, 54, 4125–4139

83 941 Halverstadt, I. F.; Kumler, W. D. Solvent Polarization Error and its Elimination in Calculating Dipole Moments 1942, 64, 2988–2992

84 929 Grunwald, E.; Winstein, S. The Correlation of Solvolysis Rates 1948, 70, 846–854

85 923 Cornell, W. D.; Cieplak, P.; Bayly, C. I.; Gould, I. R.; Merz, K. M., Jr.; Ferguson, D. M.; Spellmeyer, D. C.; Fox, T.; Caldwell, J. W.; Kollman, P. A. A Second Generation Force Field for the Simulation of Proteins, Nucleic Acids, and Organic Molecules 1995, 117, 5179–5197

Date Available: September 2003
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86 910 Bodanszky, M.; du Vigneaud, V. A Method of Synthesis of Long Peptide Chains Using a Synthesis of Oxytocin as an Example 1959, 81, 5688–5691

87 909 Wadsworth, W. S., Jr.; Emmons, W. D. The Utility of Phosphonate Carbanions in Olefin Synthesis 1961, 83, 1733–1738

88 909 Woodward, R. B.; Hoffmann, R. Stereochemistry of Electrocyclic Reactions 1965, 87, 395–397

89 904 Ramsay, D. A. Intensities and Shapes of Infrared Absorption Bands of Substances in the Liquid Phase 1952, 74, 72–80

90 901 Harvey, A. E., Jr.; Manning, D. L. Spectrophotometric Methods of Establishing Empirical Formulas of Colored Complexes in Solution 1950, 72, 4488–4493

91 897 Schwarz, K.; Foltz, C. M. Selenium as an Integral Part of Factor 3 Against Dietary Necrotic Liver Degeneration 1957, 79, 3292–3293

92 881 Poos, G. I.; Arth, G. E.; Beyler, R. E.; Sarett, L. H. Approaches to the Total Synthesis of Adrenal Steroids. V. 4b-Methyl-7-ethylenedioxy-
1,2,3,4,4a,4b,5,6,7,8,10,
10a-dodecahydro-phenanthrene-4
-ol-1-one and Related Tricyclic Derivatives 1953, 75, 422–429

93 875 Hunter, C. A.; Sanders, J. K. M. The Nature of – Interactions 1990, 112, 5525–5534

94 868 Randi, M. On Characterization of Molecular Branching 1975, 97, 6609–6615

95 865 Grant, D. M.; Paul, E. G. Carbon-13 Magnetic Resonance. II. Chemical Shift Data for the Alkanes 1964, 86, 2984–2990

96 863 Flory, P. J.; Fox, T. G., Jr. Treatment of Intrinsic Viscosities 1951, 73, 1904–1908

97 863 Cram, D. J.; Elhafez, F. A. A. Studies in Stereochemistry. X. The Rule of “Steric Control of Asymmetric Induction” in the Syntheses of Acyclic Systems 1952, 74, 5828–5835

98 855 Grant, D. M.; Cheney, B. V. Carbon-13 Magnetic Resonance. VII. Steric Perturbation of the Carbon-13 Chemical Shift 1967, 89, 5315–5318

99 855 Hay, P. J.; Thibeault, J. C.; Hoffmann, R. Orbital Interactions in Metal Dimer Complexes 1975, 97, 4884–4899

100 840 Calvin, M.; Wilson, K. W. Stability of Chelate Compounds 1945, 67, 2003–2007

101 837 DeFord, D. D.; Hume, D. N. The Determination of Consecutive Formation Constants of Complex Ions from Polarographic Data 1951, 73, 5321–5322

102 835 Hendrickson, J. B. Molecular Geometry. I. Machine Computation of the Common Rings 1961, 83, 4537–4547

103 832 Frensdorff, H. K. Stability Constants of Cyclic Polyether Complexes with Univalent Cations 1971, 93, 600–606

104 824 Field, R. J.; Koros, E.; Noyes, R. M. Oscillations in Chemical Systems. II. Thorough Analysis of Temporal Oscillation in the Bromate–Cerium–Malonic Acid System 1972, 94, 8649–8664

105 819 Sober, H. A.; Gutter, F. J.; Wyckoff, M. M.; Peterson, E. A. Chromatography of Proteins. II. Fractionation of Serum Protein on Anion-Exchange Cellulose 1956, 78, 756–763

Date Available: Late October 2003
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106 812 Lemieux, R. U.; Kullnig, R. K.; Bernstein, H. J.; Schneider, W. G. Configurational Effects on the Proton Magnetic Resonance Spectra of Six-Membered Ring Compounds 1958, 80, 6098–6105

107 806 Wilzbach, K. E. Tritium-Labeling by Exposure of Organic Compounds to Tritium Gas 1957, 79, 1013–1013

108 798 Pietro, W. J.; Francl, M. M.; Hehre, W. J.; DeFrees, D. J.; Pople, J. A.; Binkley, J. S. Self-Consistent Molecular Orbital Methods. 24. Supplemented Small Split-Valence Basis Sets for Second-Row Elements 1982, 104, 5039–5048

109 797 Hammett, L. P.; Deyrup, A. J. A Series of Simple Basic Indicators. I. The Acidity Functions of Mixtures of Sulfuric and Perchloric Acids with Water 1932, 54, 2721–2739

110 792 Plateau, P.; Gueron, M. Exchangeable Proton NMR without Base-Line Distortion, Using New Strong-Pulse Sequences 1982, 104, 7310–7311

111 789 Jorgensen, W. L.; Tirado-Rives, J. The OPLS Potential Functions for Proteins. Energy Minimizations for Crystals of Cyclic Peptides and Crambin 1988, 110, 1657–1666

112 785 Ireland, R. E.; Mueller, R. H.; Willard, A. K. The Ester Enolate Claisen Rearrangement. Stereochemical Control through Stereoselective Enolate Formation 1976, 98, 2868–2877

113 771 Flory, P. J. Molecular Size Distribution in Three-Dimensional Polymers. I. Gelation 1941, 63, 3083–3090

114 771 Engler, E. M.; Andose, J. D.; Schleyer, P. v. R. Critical Evaluation of Molecular Mechanics 1973, 95, 8005–8025

115 763 Scheraga, H. A.; Mandelkern, L. Consideration of the Hydrodynamic Properties of Proteins 1953, 75, 179–184

116 758 Moffitt, W.; Woodward, R. B.; Moscowitz, A.; Klyne, W.; Djerassi, C. Structure and the Optical Rotatory Dispersion of Saturated Ketones 1961, 83, 4013–4018

117 757 Matteucci, M. D.; Caruthers, M. H. Synthesis of Deoxyoligonucleotides on a Polymer Support 1981, 103, 3185–3191

118 756 McIver, J. W., Jr.; Komornicki, A. Structure of Transition States in Organic Reactions. General Theory and an Application to the Cyclobutene-Butadiene Isomerization Using a Semiempirical Molecular Orbital Method 1972, 94, 2625–2633

119 756 Bingham, R. C.; Dewar, M. J. S.; Lo, D. H. Ground States of Molecules. XXVI. MINDO/3 Calculations for Hydrocarbons 1975, 97, 1294–1301

120 752 Huang-Minlon A Simple Modification of the Wolff-Kishner Reduction 1946, 68, 2487–2488

121 751 Swain, C. G.; Scott, C. B. Quantitative Correlation of Relative Rates. Comparison of Hydroxide Ion with Other Nucleophilic Reagents toward Alkyl Halides, Esters, Epoxides and Acyl Halides 1953, 75, 141–147

122 750 Klotz, I. M.; Walker, F. M.; Pivan, R. B. The Binding of Organic Ions by Proteins 1946, 68, 1486–1490

123 742 Davis, D. G.; Bax, A. Assignment of Complex Proton NMR Spectra via Two-Dimensional Homonuclear Hartmann–Hahn Spectroscopy 1985, 107, 2820–2821

124 741 Pearson, R. G.; Songstad, J. Application of the Principle of Hard and Soft Acids and Bases to Organic Chemistry 1967, 89, 1827–1836

125 734 Metzler, D. E.; Ikawa, M.; Snell, E. E. A General Mechanism for Vitamin B6-Catalyzed Reactions 1954, 76, 648–652[/sell]
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