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1

A Chemist's Guide to Density Functional Theory || Bibliography

Koch, Wolfram, Holthausen, Max C.

Year:

2001

Language:

english

File:

PDF, 195 KB

english, 2001

2

A Chemist's Guide to Density Functional Theory || The Kohn-Sham Approach

Koch, Wolfram, Holthausen, Max C.

Year:

2001

Language:

english

File:

PDF, 334 KB

english, 2001

3

A Chemist's Guide to Density Functional Theory || The Electron Density as the Basic Variable: Early Attempts

Koch, Wolfram, Holthausen, Max C.

Year:

2001

Language:

english

File:

PDF, 47 KB

english, 2001

4

A Chemist's Guide to Density Functional Theory || The Quest for Approximate Exchange-Correlation Functionals

Koch, Wolfram, Holthausen, Max C.

Year:

2001

Language:

english

File:

PDF, 228 KB

english, 2001

5

Coitus-induced orgasm stimulates prolactin secretion in healthy subjects

Michael S. Exton, Tillmann H.C. Krüger, Markus Koch, Erika Paulson, Wolfram Knapp, Uwe Hartmann, Manfred Schedlowski

Journal:

Psychoneuroendocrinology

Year:

2001

Language:

english

File:

PDF, 64 KB

english, 2001

6

[ASME ASME Turbo Expo 2015: Turbine Technical Conference and Exposition - Montreal, Quebec, Canada (Monday 15 June 2015)] Volume 2B: Turbomachinery - Numerical Modeling of an Aero-Engine Bearing Chamber Using the Meshless Smoothed Particle Hydrodynamics Method

Wieth, Lars, Lieber, Christian, Kurz, Wolfram, Braun, Samuel, Koch, Rainer, Bauer, Hans-Jörg

Year:

2015

Language:

english

File:

PDF, 3.23 MB

english, 2015

7

Snow Water Equivalent of Dry Snow Derived From GNSS Carrier Phases

Henkel, Patrick, Koch, Franziska, Appel, Florian, Bach, Heike, Prasch, Monika, Schmid, Lino, Schweizer, Jurg, Mauser, Wolfram

Journal:

IEEE Transactions on Geoscience and Remote Sensing

Year:

2018

Language:

english

File:

PDF, 16.62 MB

english, 2018

8

A Chemist's Guide to Density Functional Theory || Molecular Structures and Vibrational Frequencies

Koch, Wolfram, Holthausen, Max C.

Year:

2001

Language:

english

File:

PDF, 101 KB

english, 2001

9

A Chemist's Guide to Density Functional Theory || Elementary Quantum Chemistry

Koch, Wolfram, Holthausen, Max C.

Year:

2001

Language:

english

File:

PDF, 118 KB

english, 2001

10

A Chemist's Guide to Density Functional Theory || Electric Properties

Koch, Wolfram, Holthausen, Max C.

Year:

2001

Language:

english

File:

PDF, 101 KB

english, 2001

11

A Chemist's Guide to Density Functional Theory || The Hohenberg-Kohn Theorems

Koch, Wolfram, Holthausen, Max C.

Year:

2001

Language:

english

File:

PDF, 70 KB

english, 2001

12

A Chemist's Guide to Density Functional Theory || Electron Density and Hole Functions

Koch, Wolfram, Holthausen, Max C.

Year:

2001

Language:

english

File:

PDF, 177 KB

english, 2001

13

A Chemist's Guide to Density Functional Theory || The Basic Machinery of Density Functional Programs

Koch, Wolfram, Holthausen, Max C.

Year:

2001

Language:

english

File:

PDF, 148 KB

english, 2001

14

A Chemist's Guide to Density Functional Theory || The Definition of the Model

Koch, Wolfram, Holthausen, Max C.

Year:

2001

Language:

english

File:

PDF, 19 KB

english, 2001

15

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. Oxford University Press, Oxford, 1994. 471 S., geb. 60.00 £.– ISBN 0-19-507028-3

Journal:

Angewandte Chemie

Year:

1995

Language:

german

File:

PDF, 296 KB

german, 1995

16

The 7-Norbornadienyl Cation: An NMR/IGLO Validation of its ab initio Structure

Dr. Matthias Bremer, Dr. Karl Schötz, Prof. Dr. Paul von Ragué Schleyer, Dipl.-Chem. Ulrich Fleischer, Dr. Michael Schindler, Prof. Dr. Werner Kutzelnigg, Dr. Wolfram Koch, Prof. Dr. Peter Pulay

Journal:

Angewandte Chemie International Edition

Year:

1989

Language:

english

File:

PDF, 351 KB

english, 1989

17

Book Review: Basic Principles and Techniques of Molecular Quantum Mechanics. By R. E. Christoffersen

Journal:

Angewandte Chemie International Edition

Year:

1991

Language:

english

File:

PDF, 307 KB

english, 1991

18

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

Journal:

Angewandte Chemie International Edition

Year:

1996

Language:

english

File:

PDF, 272 KB

english, 1996

19

Muscle pathology in 57 patients with myotonic dystrophy type 2

Benedikt G.H. Schoser, Christiane Schneider-Gold, Wolfram Kress, Hans-Hilmar Goebel, Peter Reilich, Manuela C. Koch, Dieter E. Pongratz, Klaus V. Toyka, Hanns Lochmüller, Kenneth Ricker

Journal:

Year:

2004

Language:

english

File:

PDF, 508 KB

english, 2004

20

Specific phosphatidylethanolamine dependence of Serratia marcescens cytotoxin activity

Ralf Hertle, Sandra Brutsche, Wolfram Groeger, Silke Hobbie, Walter Koch, Ulrich Könninger, Volkmar Braun

Journal:

Molecular Microbiology

Year:

1997

Language:

english

File:

PDF, 484 KB

english, 1997

21

Energiespeicherung als Element einer sicheren Energieversorgung

Ausfelder, Florian, Beilmann, Christian, Bertau, Martin, Bräuninger, Sigmar, Heinzel, Angelika, Hoer, Renate, Koch, Wolfram, Mahlendorf, Falko, Metzelthin, Anja, Peuckert, Marcell, Plass, Ludolf, Räuc

Journal:

Chemie Ingenieur Technik

Year:

2015

File:

PDF, 5.73 MB

2015

22

Retrieval of Snow Water Equivalent, Liquid Water Content, and Snow Height of Dry and Wet Snow by Combining GPS Signal Attenuation and Time Delay

Koch, Franziska, Henkel, Patrick, Appel, Florian, Schmid, Lino, Bach, Heike, Lamm, Markus, Prasch, Monika, Schweizer, Jürg, Mauser, Wolfram

Journal:

Water Resources Research

Year:

2019

Language:

english

File:

PDF, 1.09 MB

english, 2019

23

Economical treatments of relativistic effects and electron correlation in WH6

Hertwig, Roland H., Koch, Wolfram, Yates, Brian F.

Journal:

Journal of Computational Chemistry

Year:

1998

Language:

english

File:

PDF, 267 KB

english, 1998

24

Generation of 1,3-Dithia-, 1-Selena-3-thia-, and 1,3-Diselena-2-tellurole by Neutralization-Reionization Mass Spectrometry☆

Detlef Schröder, Helmut Schwarz, Björn Löbrecht, Wolfram Koch, Satoshi Ogawa

Journal:

European Journal of Inorganic Chemistry

Year:

1998

Language:

english

File:

PDF, 260 KB

english, 1998

25

Structural and Energetical Characterization of the Methylbutadiene–Fe(CO)3 Isomers and Related Reactive Intermediates with Quantum Chemical Methods

Anja Pfletschinger, Hans-Günther Schmalz, Wolfram Koch

Journal:

European Journal of Inorganic Chemistry

Year:

1999

Language:

english

File:

PDF, 641 KB

english, 1999

26

Quantum Chemical Investigation of the Initial Steps of the Yttrium-Mediated Polymerization of Ethene and Propene

Nadja Sändig, Thomas K. Dargel, Wolfram Koch

Journal:

Zeitschrift für anorganische und allgemeine Chemie

Year:

2000

Language:

english

File:

PDF, 167 KB

english, 2000

27

A Theoretician's View of the C–F Bond Activation Mediated by the Lanthanide Cations Ce+ and Ho+

Roland H. Hertwig, Wolfram Koch

Journal:

Chemistry - A European Journal

Year:

1999

Language:

english

File:

PDF, 189 KB

english, 1999

28

Structural and Energetical Characterization of Reactive Intermediates Derived from Toluene–Cr(CO)3

Anja Pfletschinger, Thomas K. Dargel, Jan W. Bats, Hans-Günther Schmalz, Wolfram Koch

Journal:

Chemistry - A European Journal

Year:

1999

Language:

english

File:

PDF, 264 KB

english, 1999

29

The Formation of the Sulfur Halides SX4 from SX2 and X2: Reaction Enthalpies, Transition States, and Activation Energies for X=F and Cl

Yana Drozdova, Ralf Steudel, Wolfram Koch, Karol Miaskiewicz, Igor A. Topol

Journal:

Chemistry - A European Journal

Year:

1999

Language:

english

File:

PDF, 154 KB

english, 1999

30

Web Site: Mathub.com: Modellieren in der Materialforschung

Journal:

Angewandte Chemie

Year:

2001

Language:

german

File:

PDF, 47 KB

german, 2001

31

Buchbesprechung: Oxygen. Ein Stück in zwei Akten. Von Carl Djerassi und Roald Hoffmann

Journal:

Angewandte Chemie

Year:

2001

Language:

german

File:

PDF, 74 KB

german, 2001

32

Buchbesprechung: Computational Methods in Physics, Chemistry and Biology. Von Paul Harrison

Journal:

Angewandte Chemie

Year:

2002

Language:

german

File:

PDF, 55 KB

german, 2002

33

Crossed-Beam Study of Co+(3F4)+Propane: Experiment and Density Functional Theory

Sung Soo Yi, Emily L. Reichert, Max C. Holthausen, Wolfram Koch, James C. Weisshaar

Journal:

Chemistry - A European Journal

Year:

2000

Language:

english

File:

PDF, 289 KB

english, 2000

34

Density Functional Investigation of Reactive Intermediates Derived from Alkyne–Co2(CO)6 Complexes

Anja Pfletschinger, Wolfram Koch, Hans-Günther Schmalz

Journal:

Chemistry - A European Journal

Year:

2001

Language:

english

File:

PDF, 210 KB

english, 2001

35

Web Site: Mathub.com: Computational Methods in Materials Science

Journal:

Angewandte Chemie International Edition

Year:

2001

Language:

english

File:

PDF, 47 KB

english, 2001

36

Book Review: Computational Methods in Physics, Chemistry and Biology. By Paul Harrison

Journal:

Angewandte Chemie International Edition

Year:

2002

Language:

english

File:

PDF, 43 KB

english, 2002

37

Calculation of solid-state 13C NMR spectra of cellulose I α, I β and II using a semi-empirical approach and molecular dynamics

Frank-Thomas Koch, Wolfram Prieß, Raiker Witter, Ulrich Sternberg

Journal:

Macromolecular Chemistry and Physics

Year:

2000

Language:

english

File:

PDF, 156 KB

english, 2000

38

A Chemist's Guide to Density Functional Theory || Magnetic Properties

Koch, Wolfram, Holthausen, Max C.

Year:

2001

Language:

english

File:

PDF, 102 KB

english, 2001

39

A Chemist's Guide to Density Functional Theory || Chemical Reactivity: Exploring Potential Energy Surfaces

Koch, Wolfram, Holthausen, Max C.

Year:

2001

Language:

english

File:

PDF, 1.51 MB

english, 2001

40

A Chemist's Guide to Density Functional Theory || Hydrogen Bonds and Weakly Bound Systems

Koch, Wolfram, Holthausen, Max C.

Year:

2001

Language:

english

File:

PDF, 301 KB

english, 2001

41

A Chemist's Guide to Density Functional Theory || Front Matter and Index

Koch, Wolfram, Holthausen, Max C.

Year:

2001

Language:

english

File:

PDF, 102 KB

english, 2001

42

A Chemist's Guide to Density Functional Theory || The Performance of the Model

Koch, Wolfram, Holthausen, Max C.

Year:

2001

Language:

english

File:

PDF, 24 KB

english, 2001

43

A Chemist's Guide to Density Functional Theory || Relative Energies and Thermochemistry

Koch, Wolfram, Holthausen, Max C.

Year:

2001

Language:

english

File:

PDF, 222 KB

english, 2001

44

Massenspektrometrischer Nachweis von Aminoacetylen sowie seinem Mono- und Dikation

Dr. Wolfram Koch, Dr. Carlito Lebrilla, Dr. Thomas Weiske, Prof. Dr. Helmut Schwarz, Ben Van Baar, Dr. John K. Terlouw

Journal:

Angewandte Chemie

Year:

1986

Language:

german

File:

PDF, 236 KB

german, 1986

45

CO2-Abspaltung aus Vinylencarbonat-Radikalanionen und Ladungsumkehr bei C2H2O⊙⊖: Reaktionen zum Radikalanion und -kation von Oxiren?

Ben L. M. van Baar, Nikolaus Heinrich, Dr. Wolfram Koch, Ron Postma, Dr. Johan K. Terlouw, Prof. Dr. Helmut Schwarz

Journal:

Angewandte Chemie

Year:

1987

Language:

german

File:

PDF, 299 KB

german, 1987

46

Ein neuer Typ kationischer Wirtmoleküle mit π-Acceptor-Eigenschaften

Dr. Manfred Bühner, Dr. Wolfram Geuder, Dr. Willi-Kurt Gries, Prof. Dr. Siegfried Hünig, Michael Koch, Dr. Thomas Poll

Journal:

Angewandte Chemie

Year:

1988

Language:

german

File:

PDF, 439 KB

german, 1988

47

Das 7-Norbornadienyl-Kation: die NMR/IGLO-Bestätigung seiner mit ab-initio-Methoden berechneten Struktur

Matthias Bremer, Dr. Karl Schötz, Prof. Dr. Paul von Ragué Schleyer, Ulrich Fleischer, Dr. Michael Schindler, Prof. Dr. Werner Kutzelnigg, Dr. Wolfram Koch, Prof. Dr. Peter Pulay

Journal:

Angewandte Chemie

Year:

1989

Language:

german

File:

PDF, 399 KB

german, 1989

48

Experimentelles und theoretisches IR-Spektrum des 2-Norbornyl-Kations

Dr. Wolfram Koch, Dr. Bowen Liu, Dr. Douglas J. Defrees, Prof. Dr. E. Sunko, Dr. Hrvoj van čik

Journal:

Angewandte Chemie

Year:

1990

Language:

german

File:

PDF, 361 KB

german, 1990

49

Basis Principles and Techniques of Molecular Quantum Mechanics. Von R. E. Christoffersen. Springer, Berlin 1990, XIV, 686 S., geb. DM 178.00. — ISBN 3-540-96759-1

Journal:

Angewandte Chemie

Year:

1991

Language:

german

File:

PDF, 261 KB

german, 1991

50

1(9)-Homocuben und 9-Homocubyliden: theoretische Untersuchung zu Strukturen, Energien und Umlagerungsreaktionen

Dipl.-Chem. Max C. Holthausen, Prof. Dr. Wolfram Koch

Journal:

Angewandte Chemie

Year:

1994

File:

PDF, 380 KB

1994