DATA REDUCTION IN THE SIMULATION OF C-13 NUCLEAR MAGNETIC-RESONANCE SPECTRA OF STEROIDS

被引：22

作者：

SMALL, GW ^{[1
]}

JURS, PC ^{[1
]}

机构：

[1] PENN STATE UNIV,DEPT CHEM,DAVEY LAB 152,UNIVERSITY PK,PA 16802

来源：

ANALYTICAL CHEMISTRY | 1984年 / 56卷 / 13期

关键词：

D O I：

10.1021/ac00277a011

中图分类号：

O65 [分析化学];

学科分类号：

070302 ; 081704 ;

摘要：

引用

页码：2307 / 2314

页数：8

共 13 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] MOLECULAR-STRUCTURE INPUT PROGRAM USING A STORAGE CATHODE-RAY TUBE TERMINAL [J].

BRUGGER, WE ;

JURS, PC .

ANALYTICAL CHEMISTRY, 1975, 47 (04) :781-783

[3] A SIMPLE MO-LCAO METHOD FOR THE CALCULATION OF CHARGE DISTRIBUTIONS IN SATURATED ORGANIC MOLECULES [J].

DELRE, G .

JOURNAL OF THE CHEMICAL SOCIETY, 1958, (NOV) :4031-4040

[4] C-13 NUCLEAR MAGNETIC-RESONANCE SPECTRA OF HYDROXY STEROIDS [J].

EGGERT, H ;

VANANTWERP, CL ;

BHACCA, NS ;

DJERASSI, C .

JOURNAL OF ORGANIC CHEMISTRY, 1976, 41 (01) :71-78

[5] 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

[6] CARBON-13 NUCLEAR MAGNETIC RESONANCE SPECTROMETRY - CHEMICAL SHIFTS FOR PARAFFINS THROUGH C9 [J].

LINDEMAN, LP ;

ADAMS, JQ .

ANALYTICAL CHEMISTRY, 1971, 43 (10) :1245-&

[7] SIMULATION OF C-13 NUCLEAR MAGNETIC-RESONANCE SPECTRA OF CYCLOALKANOLS WITH COMPUTER-BASED STRUCTURAL DESCRIPTORS [J].

SMALL, GW ;

JURS, PC .

ANALYTICAL CHEMISTRY, 1983, 55 (07) :1128-1134

[8] INTERACTIVE COMPUTER-SYSTEM FOR THE SIMULATION OF C-13 NUCLEAR MAGNETIC-RESONANCE SPECTRA [J].

SMALL, GW ;

JURS, PC .

ANALYTICAL CHEMISTRY, 1983, 55 (07) :1121-1127

[9] DETERMINATION OF TOPOLOGICAL SIMILARITY OF CARBON-ATOMS IN THE SIMULATION OF C-13 NUCLEAR MAGNETIC-RESONANCE SPECTRA [J].

SMALL, GW ;

JURS, PC .

ANALYTICAL CHEMISTRY, 1984, 56 (08) :1314-1323

[10] ADAPT - COMPUTER SYSTEM FOR AUTOMATED DATA-ANALYSIS USING PATTERN-RECOGNITION TECHNIQUES [J].

STUPER, AJ ;

JURS, PC .

JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES, 1976, 16 (02) :99-105

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