Recent progress in understanding chemical shifts

被引：62

作者：

deDios, AC ^{[1
]}

Oldfield, E ^{[1
]}

机构：

[1] UNIV ILLINOIS, DEPT CHEM, URBANA, IL 61801 USA

来源：

SOLID STATE NUCLEAR MAGNETIC RESONANCE | 1996年 / 6卷 / 02期

关键词：

chemical shift; electrostatics; protein; shielding; tensor; NUCLEAR-MAGNETIC-RESONANCE; COUPLED-HARTREE-FOCK; GALACTOSE CHEMOSENSORY RECEPTOR; PROTEIN BACKBONE CONFORMATION; ELECTRIC-FIELD; AB-INITIO; STAPHYLOCOCCAL NUCLEASE; LOCALIZED QUANTITIES; SECONDARY STRUCTURE; GAS-PHASE;

D O I：

10.1016/0926-2040(95)01207-9

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

In the past three or four years computer hardware and software developments have reached the stage where the nuclear magnetic resonance (NMR) spectra of many molecular systems can now be accurately evaluated. Detailed analysis of chemical shifts may soon become a routine part of solid (and liquid) state NMR structure prediction in chemistry and biology, and this Article covers the development of the topic from its earliest beginnings.

引用

页码：101 / 125

页数：25

共 154 条

[1] COMPARING, MODELING, AND ASSIGNING CHEMICAL-SHIFT TENSORS IN THE CARTESIAN, IRREDUCIBLE SPHERICAL, AND ICOSAHEDRAL REPRESENTATIONS [J].