Morris Krauss: search on Z-Library

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1

Relativistic compact effective potentials and efficient, shared-exponent basis sets for the third-, fourth-, and fifth-row atoms

Stevens, Walter J., Krauss, Morris, Basch, Harold, Jasien, Paul G.

Journal:

Canadian Journal of Chemistry

Year:

1992

Language:

english

File:

PDF, 984 KB

english, 1992

2

Ab initio quantum chemical study of the cobalt d-d spectroscopy of several substituted zinc enzymes

Garmer, David R., Krauss, Morris

Journal:

Journal of the American Chemical Society

Year:

1993

Language:

english

File:

PDF, 1.46 MB

english, 1993

3

Compact effective potentials and efficient shared-exponent basis sets for the first- and second-row atoms

Stevens, Walter J., Basch, Harold, Krauss, Morris

Journal:

The Journal of Chemical Physics

Year:

1984

Language:

english

File:

PDF, 819 KB

english, 1984

4

Nonempirical analysis of nature of catalytic effects in ribonuclease A active site

K??dzierski, Pawe?, Sokalski, W. Andrzej, Krauss, Morris

Journal:

Journal of Computational Chemistry

Year:

2000

Language:

english

File:

PDF, 405 KB

english, 2000

5

Ab initio determination of the structure of the active site of a metalloenzyme: Metal substitution in phosphotriesterase using density functional methods

Sherif A. Kafafi, Morris Krauss

Journal:

International Journal of Quantum Chemistry

Year:

1999

Language:

english

File:

PDF, 299 KB

english, 1999

6

Ab initio structures of metalloenzyme active sites: Application to metalloglutathione transferase

Journal:

International Journal of Quantum Chemistry

Year:

2000

Language:

english

File:

PDF, 326 KB

english, 2000

7

The binding of substituted cis-Pt(II)-diammines to duplex DNA

Sharon L. McCarthy, Robert J. Hinde, Kenneth J. Miller, Janet S. Anderson, Harold Basch, Morris Krauss

Journal:

Year:

1990

Language:

english

File:

PDF, 400 KB

english, 1990

8

Theoretical studies of cis-Pt(II)-diammine binding to duplex DNA

Sharon L. McCarthy, Robert J. Hinde, Kenneth J. Miller, Janet S. Anderson, Harold Basch, Morris Krauss

Journal:

Year:

1990

Language:

english

File:

PDF, 1.05 MB

english, 1990

9

Hydrolysis of cyclic phosphates by ribonuclease A: A computational study using a simplified ab initio quantum model

Brian D. Wladkowski, Paul Ostazeski, Sarah Chenoweth, Steven J. Broadwater, Morris Krauss

Journal:

Journal of Computational Chemistry

Year:

2003

Language:

english

File:

PDF, 197 KB

english, 2003

10

Representation of Zn(II) complexes in polarizable molecular mechanics. Further refinements of the electrostatic and short-range contributions. Comparisons with parallel ab initio computations

Nohad Gresh, Jean-Philip Piquemal, Morris Krauss

Journal:

Journal of Computational Chemistry

Year:

2005

Language:

english

File:

PDF, 452 KB

english, 2005

11

Mono- and poly-ligated complexes of Zn2+: An ab initio analysis of the metal–ligand interaction energy

Nohad Gresh, Walter J. Stevens, Morris Krauss

Journal:

Journal of Computational Chemistry

Year:

1995

Language:

english

File:

PDF, 1.07 MB

english, 1995

12

A theoretical investigation of the origins of the green and red spectra of Ca2

Marcy E. Rosenkrantz, Morris Krauss, Walter J. Stevens

Journal:

Chemical Physics Letters

Year:

1982

Language:

english

File:

PDF, 350 KB

english, 1982

13

Hydrogen bonding in Pt ammine complexes

Morris Krauss, Harold Basch, K.J. Miller

Journal:

Chemical Physics Letters

Year:

1988

Language:

english

File:

PDF, 334 KB

english, 1988

14

Predissociation of the Schumann-Runge bands of O2

Paul S. Julienne, Morris Krauss

Journal:

Journal of Molecular Spectroscopy

Year:

1975

Language:

english

File:

PDF, 2.72 MB

english, 1975

15

The third conference on computers in chemistry 23–26 June 1994, Wroclaw, Poland including the workshop on computational methods for large molecular systems

Morris Krauss, W.Andrzej Sokalski

Journal:

Computers & Chemistry

Year:

1995

Language:

english

File:

PDF, 154 KB

english, 1995

16

Reversible proton transfer dynamics in bacteriorhodopsin

Yong-Sok Lee, Morris Krauss

Journal:

Journal of Molecular Structure

Year:

2004

Language:

english

File:

PDF, 178 KB

english, 2004

17

Preface

W. Andrzej Sokalski, Morris Krauss

Journal:

Computers & Chemistry

Year:

2000

Language:

english

File:

PDF, 45 KB

english, 2000

18

Kinetic isotope effects in the active site of B. subtilis chorismate mutase

Sharon E. Worthington, Adrian E. Roitberg, Morris Krauss

Journal:

International Journal of Quantum Chemistry

Year:

2003

Language:

english

File:

PDF, 95 KB

english, 2003

19

Recent applications of the multiconfiguration self-consistent field method to polarizabilities, excited states, van der waals forces, and triatomic surfaces

Arnold Karo, Morris Krauss, Arnold C. Wahl

Journal:

International Journal of Quantum Chemistry

Year:

1973

Language:

english

File:

PDF, 670 KB

english, 1973

20

AB initio effective spin—orbit operators for use in atomic and molecular structure calculations. Results for carbon and silicon

Walter J. Stevens, Morris Krauss

Journal:

Chemical Physics Letters

Year:

1982

Language:

english

File:

PDF, 363 KB

english, 1982

21

10.1021/ja01535a012

Franklin, J. L., Dibeler, Vernon H., Reese, Robert M., Krauss, Morris

Journal:

Journal of the American Chemical Society

Year:

1958

Language:

english

File:

PDF, 637 KB

english, 1958

22

An effective fragment method for modeling solvent effects in quantum mechanical calculations

Day, Paul N., Jensen, Jan H., Gordon, Mark S., Webb, Simon P., Stevens, Walter J., Krauss, Morris, Garmer, David, Basch, Harold, Cohen, Drora

Journal:

The Journal of Chemical Physics

Year:

1996

Language:

english

File:

PDF, 535 KB

english, 1996

23

Correlations between changes in indicators of gastric mucosal barrier integrity at time of exposure to “barrier breakers” and extent of hemorrhagic erosions one hour later

Gerald P. Morris, John L. Wallace, Patricia L. Harding, Elizabeth J. Krausse, Susand J. Lolle

Journal:

Digestive Diseases and Sciences

Year:

1984

Language:

english

File:

PDF, 470 KB

english, 1984

24

Field and laboratory studies of littering

Robert M Krauss, Jonathan L Freedman, Morris Whitcup

Journal:

Journal of Experimental Social Psychology

Year:

1978

Language:

english

File:

PDF, 1.13 MB

english, 1978

25

Mass-Spectrometric Study of Photoionization. III. Methane and Methane-d4

Dibeler, Vernon H., Krauss, Morris, Reese, Robert M., Harllee, Frederic N.

Journal:

The Journal of Chemical Physics

Year:

1965

Language:

english

File:

PDF, 678 KB

english, 1965

26

Ab initio calculations of the rotational barriers in formamide and acetamide: The effects of polarization functions and correlation

Paul G. Jasien, Walter J. Stevens, Morris Krauss

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1986

Language:

english

File:

PDF, 730 KB

english, 1986

27

Collision-induced dipoles of rare gas mixtures

Birnbaum, George, Krauss, Morris, Frommhold, Lothar

Journal:

The Journal of Chemical Physics

Year:

1984

Language:

english

File:

PDF, 598 KB

english, 1984

28

Resolution of Cystic Deterioration of the C1-2 Articulation with Posterior Fusion: Treatment Implications for Asymptomatic Patients

Puffer, Ross C., Van Gompel, Jamie J., Morris, Jonathan M., Krauss, William E.

Journal:

World Neurosurgery

Year:

2013

Language:

english

File:

PDF, 2.00 MB

english, 2013

29

CASSCF Investigation of Electronic Excited States of 2-Aminopurine

Rachofsky, Edward L., Ross, J. B. Alexander, Krauss, Morris, Osman, Roman

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 89 KB

english, 2001

30

Binding of cis-(1,2-diaminocyclohexane)platinum(II) and its derivatives to duplex DNA

Miller, Kenneth J., McCarthy, Sharon L., Krauss, Morris

Journal:

Journal of Medicinal Chemistry

Year:

1990

Language:

english

File:

PDF, 479 KB

english, 1990

31

An MD/QM Study of the Chorismate Mutase-Catalyzed Claisen Rearrangement Reaction

Worthington, Sharon E., Roitberg, Adrian E., Krauss, Morris

Journal:

Journal of Physical Chemistry B

Year:

2001

Language:

english

File:

PDF, 309 KB

english, 2001

32

Structure and Spectroscopy of Metallo-Lactamase Active Sites

Gilson, Hillary S. R., Krauss, Morris

Journal:

Journal of the American Chemical Society

Year:

1999

Language:

english

File:

PDF, 67 KB

english, 1999

33

Comparison of direct and through-water binding of platinum ammines to the phosphate anion

Krauss, Morris., Basch, Harold., Miller, K. J.

Journal:

Journal of the American Chemical Society

Year:

1988

Language:

english

File:

PDF, 561 KB

english, 1988

34

The Electronic Spectrum of the Prephenate Dianion. An Experimental and Theoretical (MD/QM) Comparison

Roitberg, Adrian E., Worthington, Sharon E., Holden, Marcia J., Mayhew, Martin P., Krauss, Morris

Journal:

Journal of the American Chemical Society

Year:

2000

Language:

english

File:

PDF, 87 KB

english, 2000

35

Reinterpretation of the Spectra of Hydrated Co ++ : An ab Initio Study

Gilson, Hillary S. R., Krauss, Morris

Journal:

Journal of Physical Chemistry A

Year:

1998

Language:

english

File:

PDF, 88 KB

english, 1998

36

Dynamics of Proton Transfer in Bacteriorhodopsin

Lee, Yong-Sok, Krauss, Morris

Journal:

Journal of the American Chemical Society

Year:

2004

Language:

english

File:

PDF, 196 KB

english, 2004

37

Acylation of β-Lactams by Class A β-Lactamase: An ab Initio Theoretical Study on the Effects of the Oxy-Anion Hole

Wladkowski, Brian D., Chenoweth, Sarah A., Sanders, Julie N., Krauss, Morris, Stevens, Walter J.

Journal:

Journal of the American Chemical Society

Year:

1997

Language:

english

File:

PDF, 332 KB

english, 1997

38

Response to “Comment on ‘Reinterpretation of the Spectra of Hydrated Co ++ : An ab Initio Study'”

Gilson, Hillary S. R., Krauss, Morris

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 18 KB

english, 2000

39

Organophosphorus Flame Retardants Inhibit Specific Liver Carboxylesterases and Cause Serum Hypertriglyceridemia

Morris, Patrick J., Medina-Cleghorn, Daniel, Heslin, Ann, King, Sarah M., Orr, Joseph, Mulvihill, Melinda M., Krauss, Ronald M., Nomura, Daniel K.

Journal:

ACS Chemical Biology

Year:

2014

Language:

english

File:

PDF, 1.10 MB

english, 2014

40

Coordination Geometries of Zn(II) and Cd(II) in Phosphotriesterase: Influence of Water Molecules in the Active Site

Krauss, Morris, Olsen, Lars, Antony, Jens, Hemmingsen, Lars

Journal:

Journal of Physical Chemistry B

Year:

2002

Language:

english

File:

PDF, 537 KB

english, 2002

41

Structure and Reaction in the Active Site of Mammalian Adenylyl Cyclase

Lee, Yong-Sok, Krauss, Morris

Journal:

Journal of Physical Chemistry B

Year:

2004

Language:

english

File:

PDF, 612 KB

english, 2004

42

Reaction Mechanism of Chorismate Mutase Studied by the Combined Potentials of Quantum Mechanics and Molecular Mechanics

Lee, Yong S., Worthington, Sharon E., Krauss, Morris, Brooks, Bernard R.

Journal:

Journal of Physical Chemistry B

Year:

2002

Language:

english

File:

PDF, 132 KB

english, 2002

43

The Role of Classroom-Level Child Behavior Problems in Predicting Preschool Teacher Stress and Classroom Emotional Climate

Friedman-Krauss, Allison Hope, Raver, C. Cybele, Morris, Pamela A., Jones, Stephanie M.

Journal:

Early Education and Development

Year:

2014

Language:

english

File:

PDF, 198 KB

english, 2014

44

Gas Phase Absorption Spectrum and Cross Sections of Vinylperoxy (C 2 H 3 O 2 ) Radical

Fahr, Askar, Laufer, Allan H., Krauss, Morris, Osman, Roman

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 165 KB

english, 1997

45

Transphosphorylation catalyzed by ribonuclease A: computational study using ab initio effective fragment potentials

Wladkowski, Brian D., Krauss, Morris, Stevens, Walter J.

Journal:

Journal of the American Chemical Society

Year:

1995

Language:

english

File:

PDF, 2.94 MB

english, 1995

46

Active Site Structure and Mechanism of Human Glyoxalase IAn ab Initio Theoretical Study

Richter, Uwe, Krauss, Morris

Journal:

Journal of the American Chemical Society

Year:

2001

Language:

english

File:

PDF, 232 KB

english, 2001

47

Acylation of β-Lactams by Class A β-Lactamase: An ab Initio Theoretical Study on the Effects of the Oxy-Anion Hole J . Am . Chem . Soc . 1997 , 119 , 6423−6431

Wladkowski, Brian D., Chenoweth, Sarah A., Sanders, Julie N., Krauss, Morris, Stevens, Walter J.

Journal:

Journal of the American Chemical Society

Year:

1997

Language:

english

File:

PDF, 54 KB

english, 1997

48

The Claisen Rearrangement of an Unusual Substrate in Chorismate Mutase

Worthington, Sharon E., Krauss, Morris

Journal:

Journal of Physical Chemistry B

Year:

2001

Language:

english

File:

PDF, 116 KB

english, 2001

49

Reduction by cytoprotective agents of ethanol-induced damage to the rat gastric mucosa: a correlated morphological and physiological study

Wallace, John L., Morris, Gerald P., Krausse, Elisabeth J., Greaves, Susan E.

Journal:

Canadian Journal of Physiology and Pharmacology

Year:

1982

Language:

english

File:

PDF, 1.84 MB

english, 1982

50

Ion-pair states of O2

Krauss, Morris, Neumann, David

Journal:

The Journal of Chemical Physics

Year:

1975

Language:

english

File:

PDF, 515 KB

english, 1975