عنوان
پدید آورنده
موضوع
رده
QD455.3 .C64,L49 2011
QD455
.
3
.
C64
,
L49
2011
کتابخانه
محل استقرار
استان: أذربایجان الشرقیة ـ شهر:
9789048138609 (hbk.)
IR
E-5798
انگلیسی
IR
Computational chemistry
[Book]
:introduction to the theory and applications of molecular and quantum mechanics
/ Errol G. Lewars
2nd ed.
Dordrecht ;London
: Springer,
, c2011.
xvi, 664 p. , ill. (some col.) , 24 cm.
Print
Includes bibliographical references and index.
An outline of what computational chemistry is all about -- The concept of the potential energy surface -- Molecular mechanics -- Introduction to quantum mechanics in computational chemistry -- Ab initio calculations -- Semiempirical calculations -- Density functional calculations -- Some "special" topics: solvation, singlet diradicals, a note on heavy atoms and transition metals -- Selected literature highlights, books, websites, software and hardware.
Chemistry, Data processing
542
.
85
QD455
.
3
.
C64
,
L49
2011
Lewars, Errol.
ایران
old catalog
p
BL
1
a
Y
