Content: Quantum chemistry throughout the periodic table / Dennis R. Salahub and Michael C. Zerner --
Optimizations of the geometry of tetrahedral Ti(IV) complexes : a basis set and correlation study of tetrachlorotitanium and trichloromethyltitanium / Rodney L. Williamson and Michael B. Hall --
LCGTO-X[alpha] study on the agostic interaction in Cl3TiCH3 / N. Rösch and P. Knappe --
Chasing the elusive d electron with X-rays / Philip Coppens --
Modeling the structure and reactivity of transition metal hydride complexes : self-consistent field and complete active space self-consistent field studies / A. Dedieu and V. Branchadell --
Potential energy surface of olefin hydrogenation by Wilkinson catalyst : comparison between trans and cis intermediates / Nobuaki Koga and Keiji Morokuma --
Ab initio studies of transition metal dihydrogen chemistry / Edward M. Kober and P. Jeffrey Hay --
Activation of small molecules by transition metal atoms : theoretical interpretation of low-temperature experiments with Cu, Pd, and Pt atoms / O.A. Novaro --
Mechanism for H2 dissociation on transition metal clusters and surfaces / Itai Panas, Per Siegbahn, and Ulf Wahlgren --
Reaction of methane with nickel(III) surface / Hong Yang and Jerry L. Whitten --
Calculations on transition metal complexes / Ernest R. Davidson --
Density functional theories in quantum chemistry : beyond the local density approximation / Axel D. Becke --
The LCGTO-X[alpha] method for transition metal model clusters : recent developments and applications / N. Rösch, P. Knappe, P. Sandl, A. Görling, and B.I. Dunlap --
Photoelectron spectroscopy and chemical bonding : valence bond model viewpoint / R.P. Messmer, P.A. Schultz, S.H. Lamson, C.H. Patterson, and H. Wang --
Transition metal diatomic and monocarbonyl molecules : an experimental viewpoint / W. Weltner, Jr. and R.J. Van Zee --
Spin density functional approach to the chemistry of transition metal clusters : Gaussian-type orbital implementation / J. Andzelm, E. Wimmer, and Dennis R. Salahub --
f Electron states in condensed matter / Jaime Keller and Carmen de Teresa --
Influence of chemical composition on heavy-electron behavior / H.R. Ott and Z. Fisk --
Response of local density theory to the challenge of f electron metals / M.R. Norman and A.J. Freeman --
Correlations in d and f electron systems / G. Stollhoff and P. Fulde --
Ab initio relativistic quantum chemistry of third-row transition elements and actinides / G.L. Malli --
Relativistic effective potentials in quantum Monte Carlo studies / Phillip A. Christiansen --
Relativistic effects on compounds containing heavy elements : the influence of kinetic energy on chemical bonds / T. Ziegler, J.G. Snijders, and E.J. Baerends --
Ground-state properties of heme complexes in model compounds and intact proteins / Frank U. Axe, Lek Chantranupong, Ahmad Waleh, Jack Collins, and Gilda H. Loew --
Atom-transfer reactivity of binuclear d8 complexes : photochemical and electrocatalytic reactions / David C. Smith and Harry B. Gray --
Spin coupling and electron delocalization in mixed-valence iron-sulfur clusters / Stephen F. Sontum, Louis Noodleman, and David A. Case --
Role of high- and low-spin electronic states in the Co(NH3)62/3+ exchange reaction / Marshall D. Newton.

lgrsnf/I:\chem\Серия - The ACS Symposium ~ Симпозиумы ACS (1120 томов) [1974-2012, PDF, ENG]\0394. The Challenge of d and f Electrons (1989).pdf

nexusstc/The Challenge of d and f Electrons. Theory and Computation/0cfc983488536f94f2167e42f51a46a3.pdf

The Challenge Of D And F Electrons: Theory And Computation (acs Symposium Series)

Dennis R Salahub; Michael C Zerner; American Chemical Society Division of Inorganic Chemistry; American Chemical Society Division of Physical Chemistry; Canadian Society for Chemistry Division of Physical and Theoretical Chemistry; American Chemical Society Meeting (195th : 1988 : Toronto, Ont); Chemical Congress of North America

Dennis R Salahub; Michael C Zerner; American Chemical Society Meeting; American Chemical Society Division of Physical Chemistry; American Chemical Society Division of Inorganic Chemistry

Dennis R Salahub; Michael C Zerner; American Chemical Society; Chemical Institute of Canada; Chemical Congress of North America

ACS symposium series The Challenge of d and f electrons, Place of publication not identified, 1989

ACS symposium series,, 394, Washington, DC, District of Columbia, 1989

American Chemical Society, Washington, DC, 1989

United States, United States of America

1989 jun 08

rutracker

lg934213

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Includes bibliographies and indexes.
"Developed from a symposium sponsored by the Divisions of Inorganic Chemistry and of Physical Chemistry of the American Chemical Society, and the Division of Physical and Theoretical Chemistry of the Canadian Society for Chemistry at the Third Chemical Congress of North America (195th National Meeting of the American Chemical Society), Toronto, Ontario, Canada, June 5-11, 1988."

2013-07-12