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230607 ||| eng |
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|a 9780841215788
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050 |
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4 |
|a QD462.6.D46
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100 |
1 |
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|a Laird, Brian B.
|e [editor]
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245 |
0 |
0 |
|a Chemical applications of density-functional theory
|c Brian B. Laird, editor, Richard B. Ross, editor, Tom Ziegler, editor
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260 |
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|a Washington, DC
|b American Chemical Society
|c 1996, 1996
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300 |
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|a 492 pages
|b illustrations
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505 |
0 |
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|a Includes bibliographical references and index
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653 |
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|a Circular Dichroism
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653 |
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|a Engineering
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653 |
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|a Perturbation (Quantum dynamics)
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653 |
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|a Solid-liquid interfaces
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653 |
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|a Polymers / analysis
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653 |
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|a Interfaces (Physical sciences) / Molecular aspects
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653 |
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|a Quantum chemistry
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653 |
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|a Hartree-Fock approximation
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653 |
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|a Mechanical Phenomena
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653 |
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|a Circular dichroism
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653 |
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|a Freezing
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653 |
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|a Models, Molecular
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653 |
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|a Beryllium / chemistry
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653 |
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|a Density functionals
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653 |
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|a Nuclear magnetic resonance
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653 |
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|a Biradicals / Analysis
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653 |
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|a Thermodynamics
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653 |
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|a Polymers / Density
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653 |
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|a Isotopes
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653 |
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|a Linear free energy relationship
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653 |
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|a Colloids
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653 |
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|a Zeolites
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653 |
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|a Polyatomic molecules / Thermodynamics
|
653 |
|
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|a Quantum theory
|
653 |
|
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|a Polymers / Molecular aspects
|
653 |
|
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|a Magnetic Resonance Spectroscopy
|
653 |
|
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|a Surface Properties
|
653 |
|
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|a Molecular orbitals
|
653 |
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|a Molecular Dynamics Simulation
|
653 |
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|a Mathematical Concepts
|
653 |
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|a Polymers
|
653 |
|
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|a Beryllium / Density / Molecular aspects
|
653 |
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|a Normal Distribution
|
653 |
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|a Colloids / Freezing
|
653 |
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|a Functional analysis
|
653 |
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|a Inhomogeneous materials / Molecular aspects
|
653 |
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|a Quantum Theory
|
653 |
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|a Materials / Design / Molecular aspects
|
653 |
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|a Helium / Isotopes / Molecular aspects
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653 |
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|a Manufactured Materials
|
653 |
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|a Vibrational circular dichroism
|
653 |
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|a Sulfides
|
653 |
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|a Polysulfides / Corrosion
|
653 |
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|a Chemical Phenomena
|
653 |
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|a Dimers / Analysis / Methodology
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653 |
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|a Gaussian processes
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653 |
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|a Radicals (Chemistry) / Analysis
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653 |
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|a Corrosion
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653 |
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|a Helium
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653 |
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|a Wave mechanics
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653 |
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|a SCIENCE / Chemistry / Computational & Molecular Modeling / bisacsh
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653 |
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|a Molecular dynamics
|
700 |
1 |
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|a Ross, Richard B.
|e [editor]
|
700 |
1 |
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|a Ziegler, Tom
|e [editor]
|
710 |
2 |
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|a American Chemical Society
|b Division of Physical Chemistry
|
710 |
2 |
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|a American Chemical Society
|b Division of Computers in Chemistry
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710 |
2 |
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|a American Chemical Society
|b Meeting ( 1995, Anaheim, California)
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041 |
0 |
7 |
|a eng
|2 ISO 639-2
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989 |
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|b ACS
|a ACS Symposium Series
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490 |
0 |
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|a ACS symposium series
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500 |
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|a "Developed from a symposium sponsored by the Division of Physical Chemistry and the Division of Computers in Chemistry at the 209th National Meeting of the American Chemical Society, Anaheim, California, April 2-6, 1995.". - Distributed in print by Oxford University Press
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856 |
4 |
0 |
|u https://pubs.acs.org/doi/book/10.1021/bk-1996-0629
|x Verlag
|3 Volltext
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082 |
0 |
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|a 541.2/8
|