AUTOMATED SELECTION OF MODELS FOR THE SIMULATION OF C-13 NUCLEAR MAGNETIC-RESONANCE SPECTRA

被引:12
作者
SMALL, GW [1 ]
STOUCH, TR [1 ]
JURS, PC [1 ]
机构
[1] PENN STATE UNIV,DEPT CHEM,DAVEY LAB 152,UNIVERSITY PK,PA 16802
关键词
D O I
10.1021/ac00277a012
中图分类号
O65 [分析化学];
学科分类号
070302 ; 081704 ;
摘要
引用
收藏
页码:2314 / 2319
页数:6
相关论文
共 23 条
[1]   CONFORMATIONAL ANALYSIS .69. IMPROVED FORCE FIELD FOR CALCULATION OF STRUCTURES AND ENERGIES OF HYDROCARBONS [J].
ALLINGER, NL ;
TRIBBLE, MT ;
MILLER, MA ;
WERTZ, DH .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1971, 93 (07) :1637-&
[2]   CARBON-13 NMR STUDY OF STEREOCHEMISTRY OF STERANES FROM OIL SHALE OF GREEN RIVER FORMATION (EOCENE) [J].
BALOGH, B ;
WILSON, DM ;
BURLINGAME, AL .
NATURE, 1971, 233 (5317) :261-+
[3]  
Belsley d, 1980, REGRESSION DIAGNOSTI
[4]   MOLECULAR-STRUCTURE INPUT PROGRAM USING A STORAGE CATHODE-RAY TUBE TERMINAL [J].
BRUGGER, WE ;
JURS, PC .
ANALYTICAL CHEMISTRY, 1975, 47 (04) :781-783
[5]   CARBON-13 MAGNETIC RESONANCE .9. METHYLCYCLOHEXANES [J].
DALLING, DK ;
GRANT, DM .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1967, 89 (25) :6612-&
[6]   C-13 MAGNETIC-RESONANCE .23. METHYLDECALINS/LI [J].
DALLING, DK ;
GRANT, DM ;
PAUL, EG .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1973, 95 (11) :3718-3724
[7]   SUBSTITUENT EFFECTS ON C-13 NMR .2. CHEMICAL-SHIFTS IN THE SATURATED FRAMEWORK OF SECONDARY ALIPHATIC DERIVATIVES [J].
EJCHART, A .
ORGANIC MAGNETIC RESONANCE, 1981, 15 (01) :22-24
[8]   SUBSTITUENT EFFECTS ON C-13 NMR CHEMICAL-SHIFTS IN THE SATURATED FRAMEWORK OF PRIMARY ALIPHATIC DERIVATIVES [J].
EJCHART, A .
ORGANIC MAGNETIC RESONANCE, 1980, 13 (05) :368-371
[9]   CARBON-13 MAGNETIC RESONANCE .2. CHEMICAL SHIFT DATA FOR ALKANES [J].
GRANT, DM ;
PAUL, EG .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1964, 86 (15) :2984-+
[10]   C-13 NUCLEAR MAGNETIC-RESONANCE STUDIES .38. EXAMINATION OF LONG-RANGE SHIELDING EFFECTS OF HYDROXYL GROUP IN ALICYCLIC SYSTEMS [J].
GROVER, SH ;
STOTHERS, JB .
CANADIAN JOURNAL OF CHEMISTRY-REVUE CANADIENNE DE CHIMIE, 1974, 52 (06) :870-878