MOLECULAR-ORBITAL CALCULATION OF PROTON SHIELDING TENSORS FOR THE INTERPRETATION OF SOLID-STATE NMR DATA

被引:7
作者
STERNBERG, U
ROSENBERGER, H
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D O I
10.1016/0301-0104(81)85028-8
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 ;
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页码:275 / 282
页数:8
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共 24 条
[11]   PRECISION NEUTRON-DIFFRACTION STRUCTURE DETERMINATION OF PROTEIN AND NUCLEIC-ACID COMPONENTS .3. CRYSTAL AND MOLECULAR STRUCTURE OF AMINO-ACID ALPHA-GLYCINE [J].
JONSSON, PG ;
KVICK, A .
ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL CRYSTALLOGRAPHY AND CRYSTAL CHEMISTRY, 1972, B 28 (06) :1827-&
[12]   PCILO Calculations on Hydrogen Bonded Complexes [J].
Lochmann, R. .
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1977, 12 (05) :841-850
[14]  
MORUKUMA K, 1968, J CHEM PHYS, V48, P3275
[15]  
REBANE TK, 1960, SOV PHYS JETP-USSR, V11, P694
[16]  
RIESS I, 1969, ANN PHYS, V57, P301
[17]  
Rosenberger H., 1978, Wissenschaftliche Zeitschrift der Friedrich-Schiller-Universitaet Jena, Mathematisch-Naturwissenschaftliche Reihe, V27, P257
[18]  
SCHMIEDEL H, 1975, PHYS STAT SOL B, V67, P1227
[19]  
STAEMMLER V, 1969, THESIS GOTTINGEN
[20]   GAUGE-INVARIANT CALCULATION OF DIAMAGNETISM AND CHEMICAL-SHIFT .3. INCREMENTARY CALCULATION OF THE SUSCEPTIBILITY TENSOR AND SHIELDING TENSOR OF PROTONS AND C-13-NUCLEI OF POLYATOMIC-MOLECULES BASED ON A SEMI-CLASSICAL MODEL [J].
STERNBERG, U ;
SALZER, K ;
PFEIFER, H ;
HABERDITZL, W .
MONATSHEFTE FUR CHEMIE, 1980, 111 (02) :505-516