Almlöf, Martin: search on Z-Library

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1

Structure and infrared spectroscopy of the C11 molecule

J.M.L. Martin, J.P. François, R. Gijbels, Jan Almlöf

Journal:

Chemical Physics Letters

Year:

1991

Language:

english

File:

PDF, 635 KB

english, 1991

2

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

3

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

4

Molecular dynamics study of heparin based coatings

Martin Almlöf, Emma M.E. Kristensen, Hans Siegbahn, Johan Åqvist

Journal:

Year:

2008

Language:

english

File:

PDF, 2.21 MB

english, 2008

5

Fragment-based discovery and optimization of enzyme inhibitors by docking of commercial chemical space

Rudling, Axel, Gustafsson, Robert, Almlöf, Ingrid, Homan, Evert J., Scobie, Martin, Warpman Berglund, Ulrika, Helleday, Thomas, Stenmark, Pål, Carlsson, Jens

Journal:

Journal of Medicinal Chemistry

Year:

2017

Language:

english

File:

PDF, 1.13 MB

english, 2017

6

Probing the Effect of Point Mutations at Protein-Protein Interfaces with Free Energy Calculations

Almlöf, Martin, Åqvist, Johan, Smalås, Arne O., Brandsdal, Bjørn O.

Journal:

Biophysical Journal

Year:

2006

Language:

english

File:

PDF, 450 KB

english, 2006

7

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

8

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

9

Improving the Accuracy of the Linear Interaction Energy Method for Solvation Free Energies

Almlöf, Martin, Carlsson, Jens, Åqvist, Johan

Journal:

Journal of Chemical Theory and Computation

Year:

2007

Language:

english

File:

PDF, 231 KB

english, 2007

10

Energetics of Codon−Anticodon Recognition on the Small Ribosomal Subunit †

Almlöf, Martin, Andér, Martin, Åqvist, Johan

Journal:

Year:

2007

Language:

english

File:

PDF, 451 KB

english, 2007

11

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

12

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

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

Binding affinity prediction with different force fields: Examination of the linear interaction energy method

Martin Almlöf, BjØrn O. Brandsdal, Johan Åqvist

Journal:

Journal of Computational Chemistry

Year:

2004

Language:

english

File:

PDF, 309 KB

english, 2004

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

Computational Study of the Binding Affinity and Selectivity of the Bacterial Ammonium Transporter AmtB †

Luzhkov, Victor B., Almlöf, Martin, Nervall, Martin, Åqvist, Johan

Journal:

Year:

2006

Language:

english

File:

PDF, 340 KB

english, 2006

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