ab initio calculations;
bond theory;
femtochemistry;
neutron diffraction;
thermodynamics;
X-ray diffraction;
NOBEL LECTURE;
NUCLEOPHILIC-ADDITION;
EXCITED-STATES;
CARBONYL GROUP;
DIFFRACTION;
MOLECULES;
CRYSTALS;
MACROMOLECULES;
COMPLEXES;
DYNAMICS;
D O I:
10.1002/ijch.201600050
中图分类号:
O6 [化学];
学科分类号:
0703 ;
摘要:
Some aspects of the evolution of structural chemistry are described from the personal perspective of a student of Jack Dunitz who started working for a Ph.D. in crystal chemistry in the mid-1960s. The importance and the change of emphasis of X-ray crystal structure determination through the decades is sketched and related to technological advances. Activities beyond standard structure determination by single-crystal and powder diffraction, some of them significantly underdeveloped, are indicated. While crystal structure determination has become an important, if not indispensable, analytical tool supporting the widespread objectives of the synthetic chemists, structural chemistry has also developed a deep physical understanding of the concept of structure at the atomic length scale and enabled the organization of an enormous volume of individual observations based on the notions of chemical bonding.
机构:
CALTECH, Jet Prop Lab, 4800 Oak Grove Dr,M-S 306-416, Pasadena, CA 91109 USACALTECH, Jet Prop Lab, 4800 Oak Grove Dr,M-S 306-416, Pasadena, CA 91109 USA
Zimmerman, Wayne
Blake, Dave
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机构:CALTECH, Jet Prop Lab, 4800 Oak Grove Dr,M-S 306-416, Pasadena, CA 91109 USA
Blake, Dave
Harris, William
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CALTECH, Jet Prop Lab, 4800 Oak Grove Dr,M-S 306-416, Pasadena, CA 91109 USACALTECH, Jet Prop Lab, 4800 Oak Grove Dr,M-S 306-416, Pasadena, CA 91109 USA
Harris, William
Morookian, John Michael
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CALTECH, Jet Prop Lab, 4800 Oak Grove Dr,M-S 306-416, Pasadena, CA 91109 USACALTECH, Jet Prop Lab, 4800 Oak Grove Dr,M-S 306-416, Pasadena, CA 91109 USA
Morookian, John Michael
Randall, Dave
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CALTECH, Jet Prop Lab, 4800 Oak Grove Dr,M-S 306-416, Pasadena, CA 91109 USACALTECH, Jet Prop Lab, 4800 Oak Grove Dr,M-S 306-416, Pasadena, CA 91109 USA
Randall, Dave
Reder, Leonard J.
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CALTECH, Jet Prop Lab, 4800 Oak Grove Dr,M-S 306-416, Pasadena, CA 91109 USACALTECH, Jet Prop Lab, 4800 Oak Grove Dr,M-S 306-416, Pasadena, CA 91109 USA
Reder, Leonard J.
Sarrazin, Phillipe
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机构:
CALTECH, Jet Prop Lab, 4800 Oak Grove Dr,M-S 306-416, Pasadena, CA 91109 USACALTECH, Jet Prop Lab, 4800 Oak Grove Dr,M-S 306-416, Pasadena, CA 91109 USA