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1

A coarse-grain parallel implementation of the direct SCF method

Hans P. Lüthi, John E. Mertz, Martin W. Feyereisen, Jan E. Almlöf

Journal:

Journal of Computational Chemistry

Year:

1992

Language:

english

File:

PDF, 475 KB

english, 1992

2

Implementation of the direct SCF and RPA methods on loosely coupled networks of workstations

Martin W. Feyereisen, Rick A. Kendall, Jeff Nichols, David Dame, Joseph T. Golab

Journal:

Journal of Computational Chemistry

Year:

1993

Language:

english

File:

PDF, 1.26 MB

english, 1993

3

Ab initio study of hydrogen bonding in the phenol–water system

David Feller, Martin W. Feyereisen

Journal:

Journal of Computational Chemistry

Year:

1993

Language:

english

File:

PDF, 824 KB

english, 1993

4

Ab initio studies of substituted diamond-like carbon clusters

Jianjun Liu, Martin W. Feyereisen, Jan Almlöf, Celeste McMichael Rohlfing, Svein Sæbø

Journal:

Chemical Physics Letters

Year:

1991

Language:

english

File:

PDF, 384 KB

english, 1991

5

Simplified sum-over-states calculations and missing-orbital analysis on hyperpolarizabilities of benzene derivatives

Mutsumi Tomonari, Norio Ookubo, Toshikazu Takada, Martin W. Feyereisen, Jan Almlöf

Journal:

Chemical Physics Letters

Year:

1993

Language:

english

File:

PDF, 716 KB

english, 1993

6

Use of approximate integrals in ab initio theory. An application in MP2 energy calculations

Martin Feyereisen, George Fitzgerald, Andrew Komornicki

Journal:

Chemical Physics Letters

Year:

1993

Language:

english

File:

PDF, 400 KB

english, 1993

7

Multiple P450 genes overexpressed in deltamethrin-resistant strains of Helicoverpa armigera

Alexandra Brun-Barale, Omer Héma, Thibaud Martin, Siripuk Suraporn, Pascaline Audant, Hideki Sezutsu, René Feyereisen

Journal:

Pest Management Science

Year:

2010

Language:

english

File:

PDF, 275 KB

english, 2010

8

An efficient implementation of the direct-SCF algorithm on parallel computer architectures

Martin Feyereisen, Rick A. Kendall

Journal:

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

Year:

1993

Language:

english

File:

PDF, 764 KB

english, 1993

9

Exploiting non-abelian point group symmetry in direct two-electron integral transformations

Marco Häser, Jan Almlöf, Martin W. Feyereisen

Journal:

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

Year:

1991

Language:

english

File:

PDF, 447 KB

english, 1991

10

Electronic structure and near-infrared spectra of diquinone anion radicals

Almlof, Jan E., Feyereisen, Martin W., Jozefiak, Thomas H., Miller, Larry L.

Journal:

Journal of the American Chemical Society

Year:

1990

Language:

english

File:

PDF, 1.26 MB

english, 1990

11

A Mutation Leu1029 to His in Heliothis virescens F. hscp Sodium Channel Gene Associated with a Nerve-Insensitivity Mechanism of Resistance to Pyrethroid Insecticides

Yoonseong Park, Daewoo Lee, Martin F.J. Taylor, Jonathan W. Holloway, James A. Ottea, Michael E. Adams, René Feyereisen

Journal:

Pesticide Biochemistry and Physiology

Year:

2000

Language:

english

File:

PDF, 188 KB

english, 2000

12

A Valine421 to Methionine Mutation in IS6 of thehscpVoltage-Gated Sodium Channel Associated with Pyrethroid Resistance inHeliothis virescensF.

Yoonseong Park, Martin F.J. Taylor, René Feyereisen

Journal:

Biochemical and Biophysical Research Communications

Year:

1997

Language:

english

File:

PDF, 108 KB

english, 1997

13

Ab initio methods for large systems

Itai Panas, Jan Almlöf, Martin W. Feyereisen

Journal:

International Journal of Quantum Chemistry

Year:

1991

Language:

english

File:

PDF, 620 KB

english, 1991

14

Hydrogen Bond Energy of the Water Dimer

Feyereisen, Martin W., Feller, David, Dixon, David A.

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 316 KB

english, 1996

15

The [18] all-carbon molecule: cumulene or polyacetylene?

Parasuk, Vudhichai, Almlof, Jan, Feyereisen, Martin W.

Journal:

Journal of the American Chemical Society

Year:

1991

Language:

english

File:

PDF, 275 KB

english, 1991

16

Mixed-valence, conjugated semiquinones

Jozefiak, Thomas H., Almlof, Jan E., Feyereisen, Martin W., Miller, Larry L.

Journal:

Journal of the American Chemical Society

Year:

1989

Language:

english

File:

PDF, 261 KB

english, 1989

17

Relative stabilities of fullerene, cumulene, and polyacetylene structures for Cn : n=18–60

Feyereisen, Martin, Gutowski, Maciej, Simons, Jack, Almlöf, Jan

Journal:

The Journal of Chemical Physics

Year:

1992

Language:

english

File:

PDF, 764 KB

english, 1992

18

An evaluation of correlation-consistent basis sets in calculating the structure and energetics of (H3Si)2O, H3SiOH, and H3SiO−

Nicholas, John B., Feyereisen, Martin

Journal:

The Journal of Chemical Physics

Year:

1995

Language:

english

File:

PDF, 448 KB

english, 1995

19

An extended basis set ab initio study of alkali metal cation–water clusters

Feller, David, Glendening, Eric D., Woon, David E., Feyereisen, Martin W.

Journal:

The Journal of Chemical Physics

Year:

1995

Language:

english

File:

PDF, 642 KB

english, 1995

20

Direct atomic-orbital-based time-dependent Hartree–Fock calculations of frequency-dependent polarizabilities

Feyereisen, Martin, Nichols, Jeff, Oddershede, Jens, Simons, Jack

Journal:

The Journal of Chemical Physics

Year:

1992

Language:

english

File:

PDF, 956 KB

english, 1992

21

Ab initio quantum chemistry study of formamide-formamidic acid tautomerization

Wang, Xiao Chuan, Nichols, Jeff, Feyereisen, Martin, Gutowski, Maciej, Boatz, Jerry, Haymet, A. D. J., Simons, Jack

Journal:

Journal of Physical Chemistry

Year:

1991

Language:

english

File:

PDF, 1.36 MB

english, 1991