Zerner, Michael: search on Z-Library

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1

[ACS Symposium Series] The Challenge of d and f Electrons Volume 394 (Theory and Computation) || Relativistic Effective Potentials in Quantum Monte Carlo Studies

Salahub, Dennis R., Zerner, Michael C.

Year:

1989

Language:

english

File:

PDF, 1.50 MB

english, 1989

2

Reports

Winter, Irene J., Zerner, Henri, Dietrich, Linnea, Smith-Hurd, Diane, Clayson, Hollis, Leja, Michael, Mathews, Patricia, Elkins, James, Cothren, Michael W., Alpers, Svetlana, Hales, Peter Bacon, Condo

Journal:

Year:

1995

Language:

english

File:

PDF, 7.80 MB

english, 1995

3

A Broyden—Fletcher—Goldfarb—Shanno optimization procedure for molecular geometries

John D. Head, Michael C. Zerner

Journal:

Chemical Physics Letters

Year:

1985

Language:

english

File:

PDF, 487 KB

english, 1985

4

An approximate Hessian for molecular geometry optimization

John D. Head, Michael C. Zerner

Journal:

Chemical Physics Letters

Year:

1986

Language:

english

File:

PDF, 545 KB

english, 1986

5

Geometry optimisation at the semiempirical self-consistent-reaction-field level using the AMPAC and MOPAC programs

Rzepa, Henry S., Yi, Man Yin, Karelson, Mati M., Zerner, Michael C.

Journal:

Journal of the Chemical Society Perkin Transactions 2

Year:

1991

Language:

english

File:

PDF, 331 KB

english, 1991

6

Porphyrins. VI. Extended Hückel Calculations on the Scandium Complex

Zerner, Michael, Gouterman, Martin

Journal:

Inorganic Chemistry

Year:

1966

Language:

english

File:

PDF, 353 KB

english, 1966

7

Quantum-chemical investigation of Buckminsterfullerene and related carbon clusters (I): The electronic structure and UV spectra of Buckminsterfullerene, and other C60 cages

Jikang Feng, Jun Li, Zhizhong Wang, Michael C. Zerner

Journal:

International Journal of Quantum Chemistry

Year:

1990

Language:

english

File:

PDF, 314 KB

english, 1990

8

[ACS Symposium Series] The Challenge of d and f Electrons Volume 394 (Theory and Computation) || Spin Coupling and Electron Delocalization in Mixed-Valence Iron—Sulfur Clusters

Salahub, Dennis R., Zerner, Michael C.

Year:

1989

Language:

english

File:

PDF, 1.08 MB

english, 1989

9

New parametrization scheme for the resonance integrals (Hμν) within the INDO/1 approximation. Main group elements

Joaquim Delphino Da Motta Neto, Michael C. Zerner

Journal:

International Journal of Quantum Chemistry

Year:

2001

Language:

english

File:

PDF, 230 KB

english, 2001

10

An intermediate neglect of differential overlap technique for spectroscopy of transition-metal complexes. Ferrocene

Zerner, Michael C., Loew, Gilda H., Kirchner, Robert F., Mueller-Westerhoff, Ulrich T.

Journal:

Journal of the American Chemical Society

Year:

1980

Language:

english

File:

PDF, 1.32 MB

english, 1980

11

Simple molecular orbital treatment of diatomic force constants

Zerner, Michael C., Parr, Robert G.

Journal:

The Journal of Chemical Physics

Year:

1978

Language:

english

File:

PDF, 886 KB

english, 1978

12

[ACS Symposium Series] The Challenge of d and f Electrons Volume 394 (Theory and Computation) || Role of High- and Low-Spin Electronic States in the Co(NH 3 ) 62+/3+ Exchange Reaction

Salahub, Dennis R., Zerner, Michael C.

Year:

1989

Language:

english

File:

PDF, 1.35 MB

english, 1989

13

[ACS Symposium Series] The Challenge of d and f Electrons Volume 394 (Theory and Computation) || Atom-Transfer Reactivity of Binuclear d 8 Complexes

Salahub, Dennis R., Zerner, Michael C.

Year:

1989

Language:

english

File:

PDF, 959 KB

english, 1989

14

[ACS Symposium Series] The Challenge of d and f Electrons Volume 394 (Theory and Computation) || Density Functional Theories in Quantum Chemistry

Salahub, Dennis R., Zerner, Michael C.

Year:

1989

Language:

english

File:

PDF, 905 KB

english, 1989

15

Porphyrins

Michael Zerner, Martin Gouterman

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

1966

Language:

english

File:

PDF, 1.21 MB

english, 1966

16

[ACS Symposium Series] The Challenge of d and f Electrons Volume 394 (Theory and Computation) || Spin Density Functional Approach to the Chemistry of Transition Metal Clusters

Salahub, Dennis R., Zerner, Michael C.

Year:

1989

Language:

english

File:

PDF, 1.79 MB

english, 1989

17

Notes

UTE KUHLEMANN, RALPH HYDE, DAVID COHEN, MICHAEL BURY, JOHN OLIVER HAND, NAOKO TAKAHATAKE, MICHAEL BATH, HENRI ZERNER, ANTONY GRIFFITHS, IRENA ZDANOWICZ, CHRISTIAN RÜMELIN, ELLIS TINIOS, MARTIN HOPKINS

Journal:

Print Quarterly

Year:

2002

Language:

english

File:

PDF, 5.21 MB

english, 2002

18

Mössbauer and EPR study of the binuclear iron centre in purple acid phosphatase

Peter G. Debrunner, Michael P. Hendrich, John de Jersey, Dianne T. Keough, J.Timothy Sage, Burt Zerner

Journal:

Biochimica et Biophysica Acta (BBA) - Protein Structure and Molecular Enzymology

Year:

1983

Language:

english

File:

PDF, 267 KB

english, 1983

19

An intermediate neglect of differential overlap technique for spectroscopy: Pyrrole and the azines

J. Ridley, Michael Zerner

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

1973

Language:

english

File:

PDF, 1.16 MB

english, 1973

20

Calculated optical spectrum of model oxyheme complex

Gilda H. Loew, Zelek S. Herman, Michael C. Zerner

Journal:

International Journal of Quantum Chemistry

Year:

1980

Language:

english

File:

PDF, 587 KB

english, 1980

21

Semiempirical antisymmetrized geminal power calculation for molecular spectra

W. Daniel Edwards, N. Yngve Öhrn, Brian L. Weiner, Michael C. Zerner

Journal:

International Journal of Quantum Chemistry

Year:

1984

Language:

english

File:

PDF, 501 KB

english, 1984

22

Reaction field effects on the electronic structure of carbon radical and ionic centers

Mati Karelson, Toomas Tamm, Alan R. Katritzky, Miroslaw Szafran, Michael C. Zerner

Journal:

International Journal of Quantum Chemistry

Year:

1990

Language:

english

File:

PDF, 485 KB

english, 1990

23

Obituary

Michael C. Zerner

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

2000

Language:

english

File:

PDF, 45 KB

english, 2000

24

A theoretical examination of the electronic structure and spectroscopy of the photosynthetic reaction center from Rhodopseudomonas viridis

Thompson, Mark A., Zerner, Michael C.

Journal:

Journal of the American Chemical Society

Year:

1991

Language:

english

File:

PDF, 838 KB

english, 1991

25

Calculated Structures and Electronic Absorption Spectroscopy for Magnesium Phthalocyanine and Its Anion Radical

Cory, Marshall G., Hirose, Hiroaki, Zerner, Michael C.

Journal:

Inorganic Chemistry

Year:

1995

Language:

english

File:

PDF, 1004 KB

english, 1995

26

Quantitative predictions of tautomeric equilibria for 2-, 3-, and 4-substituted pyridines in both the gas phase and aqueous solution: combination of AM1 with reaction field theory

Karelson, Mati M., Katritzky, Alan R., Szafran, Miroslaw, Zerner, Michael C.

Journal:

Journal of Organic Chemistry

Year:

1989

Language:

english

File:

PDF, 627 KB

english, 1989

27

On the n-.pi.* blue shift accompanying solvation

Karelson, Mati, Zerner, Michael C.

Journal:

Journal of the American Chemical Society

Year:

1990

Language:

english

File:

PDF, 280 KB

english, 1990

28

The Stereochemistry of Styrene-Maleic Anhydride Copolymers: 13 C-NMR Study and Pvcilo and Indo/1 Calculations

Butler, George B., Do, Choon H., Zerner, Michael C.

Journal:

Journal of Macromolecular Science Part A - Chemistry

Year:

1989

Language:

english

File:

PDF, 915 KB

english, 1989

29

Electronic structure of bacteriochlorophyll dimers. 1. Bacteriochlorin models

Thompson, Mark Alan., Zerner, Michael C., Fajer, Jack.

Journal:

Journal of Physical Chemistry

Year:

1990

Language:

english

File:

PDF, 2.28 MB

english, 1990

30

[ACS Symposium Series] The Challenge of d and f Electrons Volume 394 (Theory and Computation) || Photoelectron Spectroscopy and Chemical Bonding

Salahub, Dennis R., Zerner, Michael C.

Year:

1989

Language:

english

File:

PDF, 1.15 MB

english, 1989

31

Introduction: Theoretical chemistry in biology: From molecular structure to functional mechanisms

Peter Kollman, Harel Weinstein, Michael Zerner

Journal:

International Journal of Quantum Chemistry

Year:

1998

Language:

english

File:

PDF, 63 KB

english, 1998

32

A spin-orbit interaction enhanced INDO/S-CI technique: applications to main group and transition metal heteronuclear diatomic molecules

Manfred Kotzian, Notker Rösch, Russell M. Pitzer, Michael C. Zerner

Journal:

Chemical Physics Letters

Year:

1989

Language:

english

File:

PDF, 447 KB

english, 1989

33

Theoretical study of the Jahn-Teller effect on the spectroscopy of VCl4

Krassimir K. Stavrev, Michael C. Zerner

Journal:

Chemical Physics Letters

Year:

1996

Language:

english

File:

PDF, 265 KB

english, 1996

34

An examination of perturbation–variational theory and scaling at fifth order

John M. Cullen, Michael C. Zerner

Journal:

International Journal of Quantum Chemistry

Year:

1988

Language:

english

File:

PDF, 1001 KB

english, 1988

35

Quantum chemical calculations on buckminsterfullerene and related structures. II. The electronic structure and spectra of some Cn and CnCa2+ cages

Jikang Feng, Jun Li, Zhiru Li, Michael C. Zerner

Journal:

International Journal of Quantum Chemistry

Year:

1991

Language:

english

File:

PDF, 570 KB

english, 1991

36

Perturbation–variational methods revisited

Monique Revoredo Chacon, Michael C. Zerner

Journal:

International Journal of Quantum Chemistry

Year:

1993

Language:

english

File:

PDF, 554 KB

english, 1993

37

Toward an ionic mechanism of soot particle formation: Reactions between acetylene and tautomeric forms of the C3H3+ ions

Jerzy Leszczynski, Floyd Wiseman, Michael C. Zerner

Journal:

International Journal of Quantum Chemistry

Year:

1988

Language:

english

File:

PDF, 333 KB

english, 1988

38

An intermediate neglect of differential overlap (INDO) technique for lanthanide complexes: studies on lanthanide halides

J. Chris Culberson, Peter Knappe, Notker Rösch, Michael C. Zerner

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

1987

Language:

english

File:

PDF, 973 KB

english, 1987

39

Conformational analysis of the anhydrotetracycline molecule: A toxic decomposition product of tetracycline

Helio F. Dos Santos, Wagner B. De Almeida, Michael C. Zerner

Journal:

Journal of Pharmaceutical Sciences

Year:

1998

Language:

english

File:

PDF, 99 KB

english, 1998

40

[ACS Symposium Series] The Challenge of d and f Electrons Volume 394 (Theory and Computation) || The Challenge of d and f Electrons, Copyright, ACS Symposium Series, Foreword

Salahub, Dennis R., Zerner, Michael C.

Year:

1989

Language:

english

File:

PDF, 275 KB

english, 1989

41

[ACS Symposium Series] The Challenge of d and f Electrons Volume 394 (Theory and Computation) || f Electron States in Condensed Matter

Salahub, Dennis R., Zerner, Michael C.

Year:

1989

Language:

english

File:

PDF, 1.50 MB

english, 1989

42

Implementation of the IPPP–CLOPPA–INDO/S method for the study of indirect nuclear spin coupling constants and its application to molecules containing tin nuclei

Edith L. Botek, Gustavo A. Aucar, Marshall G. Cory, Michael C. Zerner

Journal:

Journal of Organometallic Chemistry

Year:

2000

Language:

english

File:

PDF, 113 KB

english, 2000

43

Matrix elements of spin-dependent one-electron operators between bonded functions

Rolf Manne, Michael C. Zerner

Journal:

International Journal of Quantum Chemistry

Year:

1985

Language:

english

File:

PDF, 313 KB

english, 1985

44

Solvent effect on the first hyperpolarizabilities of conjugated organic molecules

Yu, Jenwei, Zerner, Michael C.

Journal:

The Journal of Chemical Physics

Year:

1994

Language:

english

File:

PDF, 848 KB

english, 1994

45

[ACS Symposium Series] The Challenge of d and f Electrons Volume 394 (Theory and Computation) || The LCGTO—Xα Method for Transition Metal Model Clusters

Salahub, Dennis R., Zerner, Michael C.

Year:

1989

Language:

english

File:

PDF, 2.07 MB

english, 1989

46

A dynamical damping scheme for converging molecular scf calculations

Michael C. Zerner, Michael Hehenberger

Journal:

Chemical Physics Letters

Year:

1979

Language:

english

File:

PDF, 404 KB

english, 1979

47

Searching for transition states: The line–then–plane (LTP) approach

Cristián Cárdenas-Lailhacar, Michael C. Zerner

Journal:

International Journal of Quantum Chemistry

Year:

1995

Language:

english

File:

PDF, 718 KB

english, 1995

48

Localized bond model for molecular energy to fourth order in perturbation theory

John M. Cullen, Michael C. Zerner

Journal:

International Journal of Quantum Chemistry

Year:

1982

Language:

english

File:

PDF, 1.44 MB

english, 1982

49

CrCr Multiple bonding in binuclear complexes

Paulo Corrêa De Mello, W. Daniel Edwards, Michael C. Zerner

Journal:

International Journal of Quantum Chemistry

Year:

1983

Language:

english

File:

PDF, 493 KB

english, 1983

50

On the excited states ofp-quinones and an interpretation of the photocycloaddition ofp-quinones to alkenes

Nigel J. Bunce, Joan E. Ridley, Michael C. Zerner

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

1977

Language:

english

File:

PDF, 934 KB

english, 1977

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