机读格式显示(MARC)
- 000 01711cam a2200313 i 4500
- 008 180227s2018 gw a b 001 0 eng d
- 020 __ |a 9783110481358 |q (hd.bd.)
- 020 __ |a 3110481359 |q (hd.bd.)
- 040 __ |a OHX |b eng |c OHX |e rda |d VMC |d IAL |d DLC
- 050 00 |a QD453.3 |b .C44 2018
- 099 __ |a CAL 022018080840
- 245 00 |a Chemical synergies : |b from the lab to in silico modelling / |c edited by Nuno A.G. Bandeira and Bartosz Tylkowski.
- 264 _1 |a Berlin ; |a Boston : |b De Gruyter, |c [2018]
- 300 __ |a xiv, 310 pages : |b many illustrations (chiefly color) ; |c 25 cm
- 336 __ |a text |b txt |2 rdacontent
- 337 __ |a unmediated |b n |2 rdamedia
- 338 __ |a volume |b nc |2 rdacarrier
- 504 __ |a Includes bibliographical references and index.
- 520 __ |a This book gives an overview of recent integrated and inter-disciplinary approaches between chemical experiment and theory in a variety of fields, from polymer science to materials chemistry and ranging from the design of tailored properties to catalysis and reactivity, building on the well-established success of Density Functional Theory as the foremost quantum chemical method to provide qualitative and quantitative interpretation of results from the chemical laboratory. The combination of several characterization techniques with an understanding at the molecular level of chemical and physical phenomena are the main focal point of the subject matter.
- 650 _0 |a Chemistry, Physical and theoretical.
- 700 1_ |a Bandeira, Nuno A.G., |e editor.
- 700 1_ |a Tylkowski, Bartosz, |e editor.