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Books > Science & Mathematics > Chemistry > Physical chemistry > Quantum & theoretical chemistry
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Comparison of Ab Initio Quantum Chemistry with Experiment for Small Molecules - The State of the Art Proceedings of a Symposium Held at Philadelphia, Pennsylvania, 27-29 August, 1984 (Hardcover, 1985 ed.)
Loot Price: R5,423
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Comparison of Ab Initio Quantum Chemistry with Experiment for Small Molecules - The State of the Art Proceedings of a Symposium Held at Philadelphia, Pennsylvania, 27-29 August, 1984 (Hardcover, 1985 ed.)
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At the American Chemical Society meeting in Philadelphia,
Pennsylvania, U.S.A., a symposium was organized entitled,
"Comparison of Ab Initio Quantum Chemistry with Experiment:
State-of-the-Art." The intent of the symposium was to bring
together forefront experimen talists, who perform the types of
clean, penetrating experiments that are amenable to thorough
theoretical analysis, with inventive theore ticians who have
developed high accuracy ab initio methods that are capable of
competing favorably with experiment, to assess the current
applicability of theoretical methods in chemistry. Contributions
from many of those speakers (see Appendix A) plus others selected
for their expertise in the subject are contained in this volume.
Such a book is especially timely, since with the recent develop
ment of new, more accurate and powerful ab initio methods coupled
with the exceptional progress achieved in computational equipment,
ab initio quantum chemistry is now often able to offer a third
voice to resolve experimental discrepancies, assist essentially in
the interpre tation of experiments, and frequently, provide
quantitatively accurate results for molecular properties that are
not available from experiment."
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