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1

Variation of disulfide bond stretching frequencies with disulfide dihedral angle in dimethyl disulfide

Van Wart, Harold E., Shipman, Lester L., Scheraga, Harold A.

Journal:

Journal of Physical Chemistry

Year:

1974

Language:

english

File:

PDF, 932 KB

english, 1974

2

Lattice energies and heats of sublimation at 0.deg.K for n-pentane, n-hexane, n-octane, and ammonia

Shipman, Lester L., Burgess, Antony W., Scheraga, Harold A.

Journal:

Journal of Physical Chemistry

Year:

1976

Language:

english

File:

PDF, 395 KB

english, 1976

3

Ab initio calculation on large molecules using molecular fragments. Polypeptides of glycine

Shipman, Lester L., Christoffersen, Ralph E.

Journal:

Journal of the American Chemical Society

Year:

1973

Language:

english

File:

PDF, 1.23 MB

english, 1973

4

STEREOELECTRONIC PROPERTIES OF PHOTOSYNTHETIC AND RELATED SYSTEMS—VIII. AB INITIO QUANTUM MECHANICAL CHARACTERIZATION OF THE ELECTRONIC STRUCTURE AND SPECTRUM OF THE BACTERIOPHEOPHORBIDE a ANION RADICAL

J. D. Petke, Gerald M. Maggiora, Lester L. Shipman, Ralph E. Christoffersen

Journal:

Photochemistry and Photobiology

Year:

1980

Language:

english

File:

PDF, 472 KB

english, 1980

5

FORSTER TRANSFER RATES FOR CHLOROPHYLL a

Lester L. Shipman, David L. Housman

Journal:

Photochemistry and Photobiology

Year:

1979

Language:

english

File:

PDF, 371 KB

english, 1979

6

Ab initio quantum mechanical characterization of the low-lying cation doublet states of uracil. Interpretation of UV and x-ray photoelectron spectra

O'Donnell, Terence J., LeBreton, Pierre R., Petke, James D., Shipman, Lester L.

Journal:

Journal of Physical Chemistry

Year:

1980

Language:

english

File:

PDF, 1.02 MB

english, 1980

7

Ab initio calculations on large molecules using molecular fragments. Initial P-matrices for scf calculations

Lester L. Shipman, Ralph E. Christoffersen

Journal:

Chemical Physics Letters

Year:

1972

Language:

english

File:

PDF, 383 KB

english, 1972

8

Theoretical study of the binding site and mode of action for photosystem II herbicides

Lester L. Shipman

Journal:

Journal of Theoretical Biology

Year:

1981

Language:

english

File:

PDF, 1.35 MB

english, 1981

9

Quantum mechanical formalism for computation of the electronic spectral properties of chlorophyll aggregates

Shipman, Lester L., Norris, James R., Katz, Joseph J.

Journal:

Journal of Physical Chemistry

Year:

1976

Language:

english

File:

PDF, 764 KB

english, 1976

10

New Proposal for Structure of Special-Pair Chlorophyll

Lester L. Shipman, Therese M. Cotton, James R. Norris and Joseph J. Katz

Journal:

Proceedings of the National Academy of Sciences

Year:

1976

Language:

english

File:

PDF, 1003 KB

english, 1976

11

Calculation of the electronic spectra of chlorophyll a- and bacteriochlorophyll a-water adducts

Shipman, Lester L., Katz, Joseph J.

Journal:

Journal of Physical Chemistry

Year:

1977

Language:

english

File:

PDF, 676 KB

english, 1977

12

Transferability of molecular fragments to large molecules

Ralph E. Christoffersen, Lester L. Shipman, Gerald M. Macgiora

Journal:

International Journal of Quantum Chemistry

Year:

1971

Language:

english

File:

PDF, 310 KB

english, 1971

13

STEREOELECTRONIC PROPERTIES OF PHOTOSYNTHETIC AND RELATED SYSTEMS—VII. AB INITIO QUANTUM MECHANICAL CHARACTERIZATION OF THE ELECTRONIC STRUCTURE AND SPECTRA OF CHLOROPHYLLIDE a AND BACTERIOCHLOROPHYLLIDE a CATION RADICALS

J. D. Petke, Gerald M. Maggiora, Lester L. Shipman, Ralph E. Christoffersen

Journal:

Photochemistry and Photobiology

Year:

1980

Language:

english

File:

PDF, 816 KB

english, 1980

14

Ab initio calculations on large molecules using molecular fragments. Model peptide studies

Shipman, Lester L., Christoffersen, Ralph E.

Journal:

Journal of the American Chemical Society

Year:

1973

Language:

english

File:

PDF, 1.04 MB

english, 1973

15

Spectroscopic characterization of the pheophytin a dication

Oettmeier, Walter, Janson, Thomas R., Thurnauer, Marion C., Shipman, Lester L., Katz, Joseph J.

Journal:

Journal of Physical Chemistry

Year:

1977

Language:

english

File:

PDF, 519 KB

english, 1977

16

ChemInform Abstract: AB-INITIO-BERECHNUNGEN FUER GROSSE MOLEKUELE UNTER VERWENDUNG VON MOLEKUELFRAGMENTEN, UNTERSUCHUNG VON METALLPEPTIDEN

SHIPMAN, LESTER L., CHRISTOFFERSEN, RALPH E.

Journal:

Chemischer Informationsdienst

Year:

1973

File:

PDF, 101 KB

1973

17

STEREOELECTRONIC PROPERTIES OF PHOTOSYNTHETIC AND RELATED SYSTEMS. XI. AB INITIO QUANTUM MECHANICAL CHARACTERIZATION OF THE ELECTRONIC STRUCTURE AND SPECTRA OF THE CHLOROPHYLLIDE a AND PHEOPHORBIDE a ANION RADICALS

J. D. Petke, G. M. Maggiora, Lester L. Shipman, Ralph E. Christoffersen

Journal:

Photochemistry and Photobiology

Year:

1982

Language:

english

File:

PDF, 618 KB

english, 1982

18

Derivation of a total charge and dipole moment-preserving population analysis for FSGO wavefunctions

Lester L. Shipman

Journal:

Chemical Physics Letters

Year:

1975

Language:

english

File:

PDF, 299 KB

english, 1975

19

Primary Processes of Photosynthesisby J. Barber

Review by: Lester L. Shipman

Journal:

Quarterly Review of Biology

Year:

1978

Language:

english

File:

PDF, 97 KB

english, 1978

20

Bends in globular proteins. A statistical mechanical analysis of the conformational space of dipeptides and proteins

Zimmerman, S. Scott, Shipman, Lester L., Scheraga, Harold A.

Journal:

Journal of Physical Chemistry

Year:

1977

Language:

english

File:

PDF, 1.26 MB

english, 1977

21

OSCILLATOR AND DIPOLE STRENGTHS FOR CHLOROPHYLL AND RELATED MOLECULES*

Lester L. Shipman

Journal:

Photochemistry and Photobiology

Year:

1977

Language:

english

File:

PDF, 531 KB

english, 1977

22

Ab initio calculations on large molecules using molecular fragments. Lincomycin model studies

Shipman, Lester L., Christoffersen, Ralph E., Cheney, B. Vernon

Journal:

Journal of Medicinal Chemistry

Year:

1974

Language:

english

File:

PDF, 957 KB

english, 1974

23

The Society of American Archivists Reports for the Year 1945-46

Lester J. Cappon, Karl L. Trever, Fred W. Shipman, Carl L. Lokke and Victor Gondos, Jr.

Journal:

The American Archivist

Year:

1947

Language:

english

File:

PDF, 2.67 MB

english, 1947

24

ChemInform Abstract: AB-INITIO-BERECHNUNGEN FUER GROSSE MOLEKUELE UNTER VERWENDUNG VON MOLEKUELFRAGMENTEN, UNTERSUCHUNG VON METALLPEPTIDEN

SHIPMAN, LESTER L., CHRISTOFFERSEN, RALPH E.

Journal:

Chemischer Informationsdienst

Year:

1973

File:

PDF, 101 KB

1973

25

Stereoelectronic properties of photosynthetic and related systems: Ab initio configuration interaction calculations on the ground and lower excited singlet and triplet states of magnesium chlorin and chlorin

J.D. Petke, Gerald M. Maggiora, Lester L. Shipman, Ralph E. Christoffersen

Journal:

Journal of Molecular Spectroscopy

Year:

1978

Language:

english

File:

PDF, 1.39 MB

english, 1978

26

Ab initio calculations on large molecules using molecular fragments. Preliminary investigation of ethyl chlorophyllide a and related molecules

Dale Spangler, Ross McKinney, Ralph E. Christoffersen, Gerald M. Maggiora, Lester L. Shipman

Journal:

Chemical Physics Letters

Year:

1975

Language:

english

File:

PDF, 389 KB

english, 1975

27

Ab initio calculations on large molecules using molecular fragments. SCF-MO-CI Studies on low-lying singlet and triplet states of pyrazine

J. D. Petke, Ralph E. Christoffersen, Gerald M. Maggiora, Lester L. Shipman

Journal:

International Journal of Quantum Chemistry

Year:

1977

Language:

english

File:

PDF, 582 KB

english, 1977

28

Ab initiocalculations on large molecules using molecular fragments. Characterization of the zwitterion of glycine

Lester L. Shipman, Ralph E. Christoffersen

Journal:

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

Year:

1973

Language:

english

File:

PDF, 449 KB

english, 1973

29

A New Approach to Empirical Intermolecular and Conformational Potential Energy Functions. II. Applications to Crystal Packing, Rotational Barriers, and Conformational Analysis

Antony W. Burgess, Lester L. Shipman and Harold A. Scheraga

Journal:

Proceedings of the National Academy of Sciences

Year:

1975

Language:

english

File:

PDF, 898 KB

english, 1975

30

ChemInform Abstract: A NEW APPROACH TO EMPIRICAL INTERMOLECULAR AND CONFORMATIONAL POTENTIAL ENERGY FUNCTIONS. III. APPLICATION OF EPEN TO THE CONFORMATIONAL ANALYSIS OF 1,2-DISUBSTITUTED ETHANES

BURGESS, ANTONY W., SHIPMAN, LESTER L., NEMENOFF, RAPHAEL A., SCHERAGA, HAROLD A.

Journal:

Chemischer Informationsdienst

Year:

1976

File:

PDF, 97 KB

1976

31

A THEORETICAL STUDY OF EXCITONS IN CHLOROPHYLL a PHOTOSYSTEMS ON A PICOSECOND TIMESCALE

Lester L. Shipman

Journal:

Photochemistry and Photobiology

Year:

1980

Language:

english

File:

PDF, 898 KB

english, 1980

32

ChemInform Abstract: AB INITIO CALCULATIONS ON LARGE MOLECULES USING MOLECULAR FRAGMENTS, POLYPEPTIDES OF GLYCINE

SHIPMAN, LESTER L., CHRISTOFFERSEN, RALPH E.

Journal:

Chemischer Informationsdienst

Year:

1973

File:

PDF, 89 KB

1973

33

Stereoelectronic properties of photosynthetic and related systems: Ab initio configuration interaction calculations on the ground and lower excited singlet and triplet states of magnesium porphine and porphine

J.D Petke, Gerald M Maggiora, Lester L Shipman, Ralph E Christoffersen

Journal:

Journal of Molecular Spectroscopy

Year:

1978

Language:

english

File:

PDF, 1.37 MB

english, 1978

34

Donor Properties of the Three Carbonyl Groups of Chlorophyll a: ab initio Calculations and13C Magnetic Resonance Studies

Lester L. Shipman, Thomas R. Janson, G. Joseph Ray and Joseph J. Katz

Journal:

Proceedings of the National Academy of Sciences

Year:

1975

Language:

english

File:

PDF, 1.00 MB

english, 1975

35

Structure, energetics, and dynamics of small water clusters

Owicki, John C., Shipman, Lester L., Scheraga, Harold A.

Journal:

Journal of Physical Chemistry

Year:

1975

Language:

english

File:

PDF, 1.84 MB

english, 1975

36

[Part 2: Biological Sciences] || Monomeric Chlorophyll a enol: Evidence for Its Possible Role as the Primary Electron Donor in Photosystem I of Plant Photosynthesis

Michael R. Wasielewski, James R. Norris, Lester L. Shipman, Chih-Ping Lin and Walter A. Svec

Journal:

Proceedings of the National Academy of Sciences

Year:

1981

Language:

english

File:

PDF, 857 KB

english, 1981

37

STEREOELECTRONIC PROPERTIES OF PHOTOSYNTHETIC AND RELATED SYSTEMS — V. AB INITIO CONFIGURATION INTERACTION CALCULATIONS ON THE GROUND AND LOWER EXCITED SINGLET AND TRIPLET STATES OF ETHYL CHLOROPHYLLIDE a AND ETHYL PHEOPHORBIDE a

J. D. Petke, Gerald M. Maggiora, Lester Shipman, Ralph E. CHRISTOFFERSEN

Journal:

Photochemistry and Photobiology

Year:

1979

Language:

english

File:

PDF, 1.48 MB

english, 1979

38

An analysis of the visible absorption spectrum of chlorophyll a monomer, dimer, and oligomers in solution

Shipman, Lester L., Cotton, Therese M., Norris, James R., Katz, Joseph J.

Journal:

Journal of the American Chemical Society

Year:

1976

Language:

english

File:

PDF, 1.14 MB

english, 1976

39

Ab initio Calculations on Large Molecules using Molecular Fragments. Evidence of Hydrogen Bonding in Polypeptides of Glycine

Lester L. Shipman and Ralph E. Christoffersen

Journal:

Proceedings of the National Academy of Sciences

Year:

1972

Language:

english

File:

PDF, 832 KB

english, 1972

40

News Notes

Karl L. Trever, Lester J. Cappon, Fred W. Shipman, Philip C. Brooks, Harold S. Burt, Walter Hausdorfer, Victor Gondos, Jr., Carl L. Lokke and Elizabeth E. Hamer

Journal:

The American Archivist

Year:

1946

File:

PDF, 10.14 MB

1946

41

Stereoelectronic properties of photosynthetic and related systems. 10. Quantum mechanical characterization of the excited states of ethyl chlorophyllide a enol

Petke, J. D., Shipman, Lester L., Maggiora, Gerald M., Christoffersen, Ralph E.

Journal:

Journal of the American Chemical Society

Year:

1981

Language:

english

File:

PDF, 279 KB

english, 1981

42

A new approach to empirical intermolecular and conformational potential energy functions. III. Application of EPEN to the conformational analysis of 1,2-disubstituted ethanes

Burgess, Antony W., Shipman, Lester L., Nemenoff, Raphael A., Scheraga, Harold A.

Journal:

Journal of the American Chemical Society

Year:

1976

Language:

english

File:

PDF, 934 KB

english, 1976

43

Reaction of the 7,8-diol 9,10-epoxide of benzo[a]pyrene with guanine in DNA. Ab initio calculations and proposed reaction mechanism

Lin, Jung-Hui, LeBreton, Pierre R., Shipman, Lester L.

Journal:

Journal of Physical Chemistry

Year:

1980

Language:

english

File:

PDF, 1010 KB

english, 1980

44

A New Approach to Empirical Intermolecular and Conformational Potential Energy Functions. I. Description of Model and Derivation of Parameters

Lester L. Shipman, Antony W. Burgess and Harold A. Scheraga

Journal:

Proceedings of the National Academy of Sciences

Year:

1975

Language:

english

File:

PDF, 846 KB

english, 1975

45

Antenna chlorophyll a and P700. Exciton transitions in chlorophyll a arrays

Shipman, Lester L.

Journal:

Journal of Physical Chemistry

Year:

1977

Language:

english

File:

PDF, 647 KB

english, 1977

46

Structure, energetics, and dynamics of the water dimer

Shipman, Lester L., Owicki, John C., Scheraga, Harold A.

Journal:

Journal of Physical Chemistry

Year:

1974

Language:

english

File:

PDF, 754 KB

english, 1974

47

Computation of the intermolecular vibrational modes of a tetrahedral water pentamer at the core of an ice-like water cluster

Shipman, Lester L., Scheraga, Harold A.

Journal:

Journal of Physical Chemistry

Year:

1975

Language:

english

File:

PDF, 535 KB

english, 1975

48

STEREOELECTRONIC PROPERTIES OF PHOTOSYNTHETIC AND RELATED SYSTEMS—VI. AB INITIO CONFIGURATION INTERACTION CALCULATIONS ON THE GROUND AND LOWER EXCITED SINGLET AND TRIPLET STATES OF ETHYL BACTERIOCHLOROPHYLLIDE-a AND ETHYL BACTERIOPHEOPHORBIDE-a

J. D. Petke, Gerald M. Maggiora, Lester L. Shipman, Ralph E. Christoffersen

Journal:

Photochemistry and Photobiology

Year:

1980

Language:

english

File:

PDF, 1009 KB

english, 1980

49

Stereoelectronic properties of photosynthetic and related systems. 1. Ab initio quantum mechanical ground state characterization of free base porphine, chlorin, and ethyl pheophorbide a

Spangler, Dale, Maggiora, Gerald M., Shipman, Lester L., Christoffersen, Ralph E.

Journal:

Journal of the American Chemical Society

Year:

1977

Language:

english

File:

PDF, 1008 KB

english, 1977

50

Ab initio quantum mechanical characterization of the ground electronic state of uracil

O'Donnell, Terence J., LeBreton, Pierre R., Shipman, Lester L.

Journal:

Journal of Physical Chemistry

Year:

1978

Language:

english

File:

PDF, 673 KB

english, 1978

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