Results 251 to 260 of about 71,384 (267)

Book Review: A New Dimension to Quantum Chemistry. Analytic Derivative Methods in Ab‐Initio Molecular Electronic Structure Theory. By Y. Yamaguchi, Y. Osamura, J. D. Goddard and H. F. Schaefer

Angewandte Chemie International Edition in English, 1996
openaire   +1 more source

Book Review: Ab Initio Methods in Quantum Chemistry, Part I and Part II (Series: Advances in Chemical Physics, Vols. 67 and 69). Series editors: I. Prigogine and S. A. Rice; volume editor: K. P. Lawley

Angewandte Chemie International Edition in English, 1988
openaire   +1 more source

Quantum Chemical Methods for the Prediction of Energetic, Physical, and Spectroscopic Properties of Ionic Liquids

Chemical Reviews, 2017
Ekaterina I Izgorodina, Zoe L Seeger, Samuel Y S Tan   +2 more
exaly  

Ab Initio Methods in Quantum Chemistry, Part I and Part II Wiley‐Interscience, New York, Advances in Chemical Physics, Vol. 67, 556 pp, and Vol. 69, 588 pp, 1987. K. P. Lawley, Editor

International Journal of Quantum Chemistry, 1989
openaire   +1 more source

Oxygen Defects and Surface Chemistry of Ceria: Quantum Chemical Studies Compared to Experiment

Chemical Reviews, 2013
Joachim Paier, Christopher Penschke, Joachim Sauer   +2 more
exaly  

Theorie pur: A New Dimension to Quantum Chemistry. Analytic Derivative Methods in Ab Initio Molecular Electronic Structure Theory. Von Y. Yamaguchi, Y. Osamura, J. D. Goddard und H. F. Schaefer III. Oxford University Press, Oxford, 1994. 471 S., geb., 60,‐ £. ISBN 0‐19‐507028‐3

Nachrichten aus Chemie, Technik und Laboratorium, 1995
openaire   +1 more source

Gold Nanoparticles:  Assembly, Supramolecular Chemistry, Quantum-Size-Related Properties, and Applications toward Biology, Catalysis, and Nanotechnology

Chemical Reviews, 2004
Marie-Christine Daniel, Didier Astruc
exaly  

Electronic Structure Methods: Comparison of Ab Initio Quantum Chemistry with Experiment for Small Molecules . The State of the Art. Rodney J. Bartlett, Ed. Reidel, Dordrecht, 1985 (U.S. distributor, Kluwer, Hingham, MA). x, 513 pp., illus. $79. Based on a symposium, Philadelphia, Aug. 1984.

Science, 1986
openaire   +1 more source

Ligand-Binding Affinity Estimates Supported by Quantum-Mechanical Methods

Chemical Reviews, 2016
Ulf Ryde, Pär Söderhjelm
exaly  

Numerische Quantenmechanik: Ab initio Methods in Quantum Chemistry. Hrsg. von K. P. Lawley. Advances in Chemical Physics, Bde. 67 und 69. John Wiley & Sons, Chichester ‐ New York ‐ Brisbane ‐ Toronto ‐ Singapore 1987. Teil I, X+556 S., £ 70.00. ISBN 0‐471‐90900‐9, Teil II,

Nachrichten aus Chemie, Technik und Laboratorium, 1988
openaire   +1 more source