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1

Analytical solution of the Schrödinger equation for a double minimum morse potential and application to intramolecular inversion

Timothy D. Davis, Ralph E. Christoffersen

Journal:

Chemical Physics Letters

Year:

1973

Language:

english

File:

PDF, 381 KB

english, 1973

2

[ACS Symposium Series] Algorithms for Chemical Computations Volume 46 || Graph Algorithms in Chemical Computation

Christoffersen, Ralph E.

Year:

1977

Language:

english

File:

PDF, 1.77 MB

english, 1977

3

Ab initio calculations on large molecules using molecular fragments. Preliminary investigations

Ralph E. Christoffersen, Gerald M. Maggiora

Journal:

Chemical Physics Letters

Year:

1969

Language:

english

File:

PDF, 475 KB

english, 1969

4

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

5

Ab initio calculations on large molecules using molecular fragments. Initial studies on open shell systems

Timothy D. Davis, Ralph E. Christoffersen, Gerald M. Maggiora

Journal:

Chemical Physics Letters

Year:

1973

Language:

english

File:

PDF, 410 KB

english, 1973

6

A model for the ab initio calculation of some solvent effects

Jane Hylton, Ralph E. Christoffersen, George G. Hall

Journal:

Chemical Physics Letters

Year:

1974

Language:

english

File:

PDF, 324 KB

english, 1974

7

A model for the ab initio calculation of some solvent effects

Jane Hylton, Ralph E. Christoffersen, George G. Hall

Journal:

Chemical Physics Letters

Year:

1974

Language:

english

File:

PDF, 372 KB

english, 1974

8

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

9

Application of computational technologies to ribozyme biotechnology products

Ralph E. Christoffersen, James McSwiggen, Danielle Konings

Journal:

Journal of Molecular Structure

Year:

1994

Language:

english

File:

PDF, 843 KB

english, 1994

10

Ab initio and semi-empirical molecular orbital calculations on 1,6-methano[10]annulene

Gary L. Grunewald, Ibrahim M. Uwaydah, Ralph E. Christoffersen, Dale Spangler

Journal:

Tetrahedron Letters

Year:

1975

Language:

english

File:

PDF, 235 KB

english, 1975

11

Quadratically convergent iteration procedure for geminal determinations

Joe Loter, Ralph E. Christoffersen

Journal:

International Journal of Quantum Chemistry

Year:

1969

Language:

english

File:

PDF, 430 KB

english, 1969

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

Ab initio calculations on large molecules using molecular fragments characterization of anthracene and phenanthrene

Ralph E. Christoffersen

Journal:

International Journal of Quantum Chemistry

Year:

1973

Language:

english

File:

PDF, 490 KB

english, 1973

14

Ab initio calculations on large molecules using molecular fragments: Comparison of charge distribution and molecular electrostatic potential for ethyl chlorophyllide a and related molecules

Tetsuro Oie, Gerald M. Maggiora, Ralph E. Christoffersen

Journal:

International Journal of Quantum Chemistry

Year:

1976

Language:

english

File:

PDF, 671 KB

english, 1976

15

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

16

Development of basis sets for molecular calculations. Comparison of tetrahedral gaussian lobe functions and cartesian gaussian basis sets

Dale Spangler, Ralph E. Christoffersen

Journal:

International Journal of Quantum Chemistry

Year:

1978

Language:

english

File:

PDF, 365 KB

english, 1978

17

Introduction

Ralph E. Christoffersen

Journal:

International Journal of Quantum Chemistry

Year:

1979

Language:

english

File:

PDF, 90 KB

english, 1979

18

Electronic structural properties and photosynthesis

Ralph E. Christoffersen

Journal:

International Journal of Quantum Chemistry

Year:

1979

Language:

english

File:

PDF, 1.27 MB

english, 1979

19

Ab initio calculations on large molecules using molecular fragments. Generalization of the molecular fragment basis at the minimum basis set level

Dale Spangler, Ralph E. Christoffersen

Journal:

International Journal of Quantum Chemistry

Year:

1980

Language:

english

File:

PDF, 1.08 MB

english, 1980

20

Development of a flexible intra- and intermolecular empirical potential function for large molecular systems

Tetsuro Oie, Gerald M. Maggiora, Ralph E. Christoffersen, David J. Duchamp

Journal:

International Journal of Quantum Chemistry

Year:

1981

Language:

english

File:

PDF, 1.98 MB

english, 1981

21

Explicitly correlated configuration interaction studies using spherical Gaussians. II. Exploratory studies on LiH

K. M. Karunakaran, Ralph E. Christoffersen

Journal:

International Journal of Quantum Chemistry

Year:

1982

Language:

english

File:

PDF, 531 KB

english, 1982

22

Explicitly correlated configuration interaction studies using spherical Gaussians. I. Theoretical considerations

K. M. Karunakaran, Ralph E. Christoffersen

Journal:

International Journal of Quantum Chemistry

Year:

1982

Language:

english

File:

PDF, 382 KB

english, 1982

23

Structural characterization of a special-pair chlorophyll dimer model of P700

Tetsuro Oie, Gerald M. Maggiora, Ralph E. Christoffersen

Journal:

International Journal of Quantum Chemistry

Year:

1982

Language:

english

File:

PDF, 690 KB

english, 1982

24

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

25

Relativistic effects in aromatic molecules

Ralph E. Christoffersen, G. G. Hall

Journal:

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

Year:

1966

Language:

english

File:

PDF, 550 KB

english, 1966

26

Recensiones

Ralph E. Christoffersen

Journal:

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

Year:

1974

Language:

english

File:

PDF, 98 KB

english, 1974

27

Ab initiocalculations on large molecules using molecular fragments First order electronic properties for hydrocarbons

Gerald M. Maggiora, Donald W. Genson, Ralph E. Christoffersen, B. Vernon Cheney

Journal:

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

Year:

1971

Language:

english

File:

PDF, 691 KB

english, 1971

28

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

29

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

30

Forming an international biotechnology spinout: Is it worth it?

Christoffersen, Ralph E.

Journal:

Nature Biotechnology

Year:

1999

Language:

english

File:

PDF, 59 KB

english, 1999

31

Translating genomics information into therapeutics: A key role for oligonucleotides

Christoffersen, Ralph E.

Journal:

Nature Biotechnology

Year:

1997

File:

PDF, 551 KB

1997

32

Antibiotics—an investment worth making?

Christoffersen, Ralph E

Journal:

Nature Biotechnology

Year:

2006

Language:

english

File:

PDF, 149 KB

english, 2006

33

[ACS Symposium Series] Computer-Assisted Drug Design Volume 112 || The Conformational Parameter in Drug Design: The Active Analog Approach

Olson, Edward C., Christoffersen, Ralph E.

Year:

1979

Language:

english

File:

PDF, 1.75 MB

english, 1979

34

Application of computational technologies to ribozyme biotechnology products

Ralph E. Christoffersen, James McSwiggen, Danielle Konings

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1994

Language:

english

File:

PDF, 891 KB

english, 1994

35

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

36

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

37

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

38

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

39

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

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

Journal:

Photochemistry and Photobiology

Year:

1981

Language:

english

File:

PDF, 686 KB

english, 1981

40

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

41

Ribozymes as Human Therapeutic Agents

Christoffersen, Ralph E., Marr, J. Joseph

Journal:

Journal of Medicinal Chemistry

Year:

1995

Language:

english

File:

PDF, 2.60 MB

english, 1995

42

[ACS Symposium Series] Computer-Assisted Drug Design Volume 112 || Computer-Assisted Synthetic Analysis: The Merck Experience

Olson, Edward C., Christoffersen, Ralph E.

Year:

1979

Language:

english

File:

PDF, 2.20 MB

english, 1979

43

DEVELOPMENT OF THEORETICAL METHODOLOGY FOR LARGE MOLECULES

Gerald M. Maggiora, Ralph E. Christoffersen, Jonathan A. Yoffe, J. D. Petke

Journal:

Annals of the New York Academy of Sciences

Year:

1981

Language:

english

File:

PDF, 805 KB

english, 1981

44

Geometric and electronic structural characterization of (3-cyano-4,5-dimethyl pyrrol-2-yl) oxamic acid ethyl ester using X-ray diffraction and ab initio quantum mechanics

D.J. Duchamp, E.C. Olson, B.V. Cheney, J.A. Ryan, Ralph E. Christoffersen

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1983

Language:

english

File:

PDF, 695 KB

english, 1983

45

The development of quantum mechanical solvent effect models. Macroscopic electrostatic contributions

McCreery, James H., Christoffersen, Ralph E., Hall, George G.

Journal:

Journal of the American Chemical Society

Year:

1976

Language:

english

File:

PDF, 811 KB

english, 1976

46

[ACS Symposium Series] Computer-Assisted Drug Design Volume 112 || The Design of Transition State Analogs

Olson, Edward C., Christoffersen, Ralph E.

Year:

1979

Language:

english

File:

PDF, 961 KB

english, 1979

47

[ACS Symposium Series] Computer-Assisted Drug Design Volume 112 || A Hierarchal QSAR Molecular Structure Calculator Applied to a Carcinogenic Nitrosamine Data Base

Olson, Edward C., Christoffersen, Ralph E.

Year:

1979

Language:

english

File:

PDF, 1.86 MB

english, 1979

48

[ACS Symposium Series] Computer-Assisted Drug Design Volume 112 || CAMSEQ/M: A Microprocessor-Based Conformational Analysis System

Olson, Edward C., Christoffersen, Ralph E.

Year:

1979

Language:

english

File:

PDF, 1.57 MB

english, 1979

49

Two-Center Hybrid Integrals between Slater-Type Atomic Orbitals

Christoffersen, Ralph E.

Journal:

The Journal of Chemical Physics

Year:

1967

Language:

english

File:

PDF, 446 KB

english, 1967

50

[ACS Symposium Series] Algorithms for Chemical Computations Volume 46 || Molecular Dynamics and Transition State Theory: The Simulation of Infrequent Events

Christoffersen, Ralph E.

Year:

1977

Language:

english

File:

PDF, 3.71 MB

english, 1977

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