Advanced Search
Display options
Filter resources
Text Availability
Article type
Publication date
Species
Language
Sex
Age
Showing 13 to 24 of 290 entries
Sorted by: Best Match Show Resources per page
Benchmarks of electronically excited states: basis set effects on CASPT2 results.

The Journal of chemical physics

Silva-Junior MR, Schreiber M, Sauer SP, Thiel W.
PMID: 21054043
J Chem Phys. 2010 Nov 07;133(17):174318. doi: 10.1063/1.3499598.

Vertical excitation energies and one-electron properties are computed for the valence excited states of 28 medium-sized organic benchmark molecules using multistate multiconfigurational second-order perturbation theory (MS-CASPT2) and the augmented correlation-consistent aug-cc-pVTZ basis set. They are compared with previously reported...

Cite
Silva-Junior MR, Schreiber M, Sauer SP, et al. Benchmarks of electronically excited states: basis set effects on CASPT2 results. J Chem Phys. 2010;133(17):174318doi: 10.1063/1.3499598.
Silva-Junior, M. R., Schreiber, M., Sauer, S. P., & Thiel, W. (2010). Benchmarks of electronically excited states: basis set effects on CASPT2 results. The Journal of chemical physics, 133(17), 174318. https://doi.org/10.1063/1.3499598
Silva-Junior, Mario R, et al. "Benchmarks of electronically excited states: basis set effects on CASPT2 results." The Journal of chemical physics vol. 133,17 (2010): 174318. doi: https://doi.org/10.1063/1.3499598
Silva-Junior MR, Schreiber M, Sauer SP, Thiel W. Benchmarks of electronically excited states: basis set effects on CASPT2 results. J Chem Phys. 2010 Nov 07;133(17):174318. doi: 10.1063/1.3499598. PMID: 21054043.
Copy Download .nbib Format: NLM
Neutralization of X4- and R5-tropic HIV-1 NL4-3 variants by HOCl-modified serum albumins.

BMC research notes

Polzer S, van Yperen M, Kirst M, Schwalbe B, Schaal H, Schreiber M.
PMID: 20525179
BMC Res Notes. 2010 Jun 02;3:155. doi: 10.1186/1756-0500-3-155.

BACKGROUND: Myeloperoxidase (MPO), an important element of the microbicidal activity of neutrophils, generates hypochlorous acid (HOCl) from H2O2 and chloride, which is released into body fluids. Besides its direct microbicidal activity, HOCl can react with amino acid residues and...

Cite
Polzer S, van Yperen M, Kirst M, et al. Neutralization of X4- and R5-tropic HIV-1 NL4-3 variants by HOCl-modified serum albumins. BMC Res Notes. 2010;3:155doi: 10.1186/1756-0500-3-155.
Polzer, S., van Yperen, M., Kirst, M., Schwalbe, B., Schaal, H., & Schreiber, M. (2010). Neutralization of X4- and R5-tropic HIV-1 NL4-3 variants by HOCl-modified serum albumins. BMC research notes, 3155. https://doi.org/10.1186/1756-0500-3-155
Polzer, Svenja, et al. "Neutralization of X4- and R5-tropic HIV-1 NL4-3 variants by HOCl-modified serum albumins." BMC research notes vol. 3 (2010): 155. doi: https://doi.org/10.1186/1756-0500-3-155
Polzer S, van Yperen M, Kirst M, Schwalbe B, Schaal H, Schreiber M. Neutralization of X4- and R5-tropic HIV-1 NL4-3 variants by HOCl-modified serum albumins. BMC Res Notes. 2010 Jun 02;3:155. doi: 10.1186/1756-0500-3-155. PMID: 20525179; PMCID: PMC2887905.
Copy Download .nbib Format: NLM
k-Restoring processes at carbon depleted ultralow-k surfaces.

The journal of physical chemistry. A

Böhm O, Leitsmann R, Plänitz P, Radehaus C, Schreiber M, Schaller M.
PMID: 21682302
J Phys Chem A. 2011 Jul 28;115(29):8282-7. doi: 10.1021/jp202851p. Epub 2011 Jul 01.

In this study we investigate the silylation of OH groups with different silazanes. In particular we use density functional theory and the nudged elastic band method to study the different reaction mechanisms. For the silylation reaction of hexamethyldisilazane and...

Cite
Böhm O, Leitsmann R, Plänitz P, et al. k-Restoring processes at carbon depleted ultralow-k surfaces. J Phys Chem A. 2011;115(29):8282-7doi: 10.1021/jp202851p.
Böhm, O., Leitsmann, R., Plänitz, P., Radehaus, C., Schreiber, M., & Schaller, M. (2011). k-Restoring processes at carbon depleted ultralow-k surfaces. The journal of physical chemistry. A, 115(29), 8282-7. https://doi.org/10.1021/jp202851p
Böhm, Oliver, et al. "k-Restoring processes at carbon depleted ultralow-k surfaces." The journal of physical chemistry. A vol. 115,29 (2011): 8282-7. doi: https://doi.org/10.1021/jp202851p
Böhm O, Leitsmann R, Plänitz P, Radehaus C, Schreiber M, Schaller M. k-Restoring processes at carbon depleted ultralow-k surfaces. J Phys Chem A. 2011 Jul 28;115(29):8282-7. doi: 10.1021/jp202851p. Epub 2011 Jul 01. PMID: 21682302.
Copy Download .nbib Format: NLM
DFT study of vibronic properties of d8 (Ni-, Pd-, and Pt-) phthalocyanines.

The Journal of chemical physics

Pouladsaz D, Schreiber M, Gopakumar TG.
PMID: 23298040
J Chem Phys. 2013 Jan 07;138(1):014306. doi: 10.1063/1.4773014.

By means of density functional theory, we have studied the electronic structure and vibronic properties of single neutral NiPc, PdPc, and PtPc molecules and their singly and doubly ionized cations and anions. In particular, the vibronic couplings and reorganization...

Cite
Pouladsaz D, Schreiber M, Gopakumar TG. DFT study of vibronic properties of d8 (Ni-, Pd-, and Pt-) phthalocyanines. J Chem Phys. 2013;138(1):014306doi: 10.1063/1.4773014.
Pouladsaz, D., Schreiber, M., & Gopakumar, T. G. (2013). DFT study of vibronic properties of d8 (Ni-, Pd-, and Pt-) phthalocyanines. The Journal of chemical physics, 138(1), 014306. https://doi.org/10.1063/1.4773014
Pouladsaz, D, et al. "DFT study of vibronic properties of d8 (Ni-, Pd-, and Pt-) phthalocyanines." The Journal of chemical physics vol. 138,1 (2013): 014306. doi: https://doi.org/10.1063/1.4773014
Pouladsaz D, Schreiber M, Gopakumar TG. DFT study of vibronic properties of d8 (Ni-, Pd-, and Pt-) phthalocyanines. J Chem Phys. 2013 Jan 07;138(1):014306. doi: 10.1063/1.4773014. PMID: 23298040.
Copy Download .nbib Format: NLM
Formation of ferromagnetic clusters around holes in the two-dimensional t-J model.

Physical review. B, Condensed matter

Sabczynski J, Schreiber M, Sherman A.
PMID: 10006806
Phys Rev B Condens Matter. 1993 Jul 01;48(1):543-549. doi: 10.1103/physrevb.48.543.

No abstract available.

Cite
Sabczynski J, Schreiber M, Sherman A. Formation of ferromagnetic clusters around holes in the two-dimensional t-J model. Phys Rev B Condens Matter. 1993;48(1):543-549doi: 10.1103/physrevb.48.543.
Sabczynski, J., Schreiber, M., & Sherman, A. (1993). Formation of ferromagnetic clusters around holes in the two-dimensional t-J model. Physical review. B, Condensed matter, 48(1), 543-549. https://doi.org/10.1103/physrevb.48.543
Sabczynski, et al. "Formation of ferromagnetic clusters around holes in the two-dimensional t-J model." Physical review. B, Condensed matter vol. 48,1 (1993): 543-549. doi: https://doi.org/10.1103/physrevb.48.543
Sabczynski J, Schreiber M, Sherman A. Formation of ferromagnetic clusters around holes in the two-dimensional t-J model. Phys Rev B Condens Matter. 1993 Jul 01;48(1):543-549. doi: 10.1103/physrevb.48.543. PMID: 10006806.
Copy Download .nbib Format: NLM
Shape analysis of the level-spacing distribution around the metal-insulator transition in the three-dimensional Anderson model.

Physical review. B, Condensed matter

Hofstetter E, Pipek J, Schreiber M, Varga I.
PMID: 9979753
Phys Rev B Condens Matter. 1995 Sep 15;52(11):7783-7786. doi: 10.1103/physrevb.52.7783.

No abstract available.

Cite
Hofstetter E, Pipek J, Schreiber M, et al. Shape analysis of the level-spacing distribution around the metal-insulator transition in the three-dimensional Anderson model. Phys Rev B Condens Matter. 1995;52(11):7783-7786doi: 10.1103/physrevb.52.7783.
Hofstetter, E., Pipek, J., Schreiber, M., & Varga, I. (1995). Shape analysis of the level-spacing distribution around the metal-insulator transition in the three-dimensional Anderson model. Physical review. B, Condensed matter, 52(11), 7783-7786. https://doi.org/10.1103/physrevb.52.7783
Hofstetter, et al. "Shape analysis of the level-spacing distribution around the metal-insulator transition in the three-dimensional Anderson model." Physical review. B, Condensed matter vol. 52,11 (1995): 7783-7786. doi: https://doi.org/10.1103/physrevb.52.7783
Hofstetter E, Pipek J, Schreiber M, Varga I. Shape analysis of the level-spacing distribution around the metal-insulator transition in the three-dimensional Anderson model. Phys Rev B Condens Matter. 1995 Sep 15;52(11):7783-7786. doi: 10.1103/physrevb.52.7783. PMID: 9979753.
Copy Download .nbib Format: NLM
Generalization of the Schwartz-Soffer inequality for correlated random fields.

Physical review. B, Condensed matter

Schreiber M, Vojta T.
PMID: 9980728
Phys Rev B Condens Matter. 1995 Jul 01;52(2):R693-R695. doi: 10.1103/physrevb.52.r693.

No abstract available.

Cite
Schreiber M, Vojta T. Generalization of the Schwartz-Soffer inequality for correlated random fields. Phys Rev B Condens Matter. 1995;52(2):R693-R695doi: 10.1103/physrevb.52.r693.
Schreiber, M., & Vojta, T. (1995). Generalization of the Schwartz-Soffer inequality for correlated random fields. Physical review. B, Condensed matter, 52(2), R693-R695. https://doi.org/10.1103/physrevb.52.r693
Schreiber, and Vojta. "Generalization of the Schwartz-Soffer inequality for correlated random fields." Physical review. B, Condensed matter vol. 52,2 (1995): R693-R695. doi: https://doi.org/10.1103/physrevb.52.r693
Schreiber M, Vojta T. Generalization of the Schwartz-Soffer inequality for correlated random fields. Phys Rev B Condens Matter. 1995 Jul 01;52(2):R693-R695. doi: 10.1103/physrevb.52.r693. PMID: 9980728.
Copy Download .nbib Format: NLM
Electron transport along a spatially disordered chain in the presence of dissipation.

Physical review. B, Condensed matter

Maschke K, Schreiber M.
PMID: 10011061
Phys Rev B Condens Matter. 1994 Jan 15;49(4):2295-2305. doi: 10.1103/physrevb.49.2295.

No abstract available.

Cite
Maschke K, Schreiber M. Electron transport along a spatially disordered chain in the presence of dissipation. Phys Rev B Condens Matter. 1994;49(4):2295-2305doi: 10.1103/physrevb.49.2295.
Maschke, K., & Schreiber, M. (1994). Electron transport along a spatially disordered chain in the presence of dissipation. Physical review. B, Condensed matter, 49(4), 2295-2305. https://doi.org/10.1103/physrevb.49.2295
Maschke, and Schreiber. "Electron transport along a spatially disordered chain in the presence of dissipation." Physical review. B, Condensed matter vol. 49,4 (1994): 2295-2305. doi: https://doi.org/10.1103/physrevb.49.2295
Maschke K, Schreiber M. Electron transport along a spatially disordered chain in the presence of dissipation. Phys Rev B Condens Matter. 1994 Jan 15;49(4):2295-2305. doi: 10.1103/physrevb.49.2295. PMID: 10011061.
Copy Download .nbib Format: NLM
Relation between energy-level statistics and phase transition and its application to the Anderson model.

Physical review. B, Condensed matter

Hofstetter E, Schreiber M.
PMID: 10010563
Phys Rev B Condens Matter. 1994 May 15;49(20):14726-14729. doi: 10.1103/physrevb.49.14726.

No abstract available.

Cite
Hofstetter E, Schreiber M. Relation between energy-level statistics and phase transition and its application to the Anderson model. Phys Rev B Condens Matter. 1994;49(20):14726-14729doi: 10.1103/physrevb.49.14726.
Hofstetter, E., & Schreiber, M. (1994). Relation between energy-level statistics and phase transition and its application to the Anderson model. Physical review. B, Condensed matter, 49(20), 14726-14729. https://doi.org/10.1103/physrevb.49.14726
Hofstetter, and Schreiber. "Relation between energy-level statistics and phase transition and its application to the Anderson model." Physical review. B, Condensed matter vol. 49,20 (1994): 14726-14729. doi: https://doi.org/10.1103/physrevb.49.14726
Hofstetter E, Schreiber M. Relation between energy-level statistics and phase transition and its application to the Anderson model. Phys Rev B Condens Matter. 1994 May 15;49(20):14726-14729. doi: 10.1103/physrevb.49.14726. PMID: 10010563.
Copy Download .nbib Format: NLM
Deep-inelastic scattering from off-shell nucleons.

Physical review. D, Particles and fields

Melnitchouk W, Schreiber AW, Thomas AW.
PMID: 10017090
Phys Rev D Part Fields. 1994 Feb 01;49(3):1183-1198. doi: 10.1103/physrevd.49.1183.

No abstract available.

Cite
Melnitchouk W, Schreiber AW, Thomas AW. Deep-inelastic scattering from off-shell nucleons. Phys Rev D Part Fields. 1994;49(3):1183-1198doi: 10.1103/physrevd.49.1183.
Melnitchouk, W., Schreiber, A. W., & Thomas, A. W. (1994). Deep-inelastic scattering from off-shell nucleons. Physical review. D, Particles and fields, 49(3), 1183-1198. https://doi.org/10.1103/physrevd.49.1183
Melnitchouk, et al. "Deep-inelastic scattering from off-shell nucleons." Physical review. D, Particles and fields vol. 49,3 (1994): 1183-1198. doi: https://doi.org/10.1103/physrevd.49.1183
Melnitchouk W, Schreiber AW, Thomas AW. Deep-inelastic scattering from off-shell nucleons. Phys Rev D Part Fields. 1994 Feb 01;49(3):1183-1198. doi: 10.1103/physrevd.49.1183. PMID: 10017090.
Copy Download .nbib Format: NLM
Structure functions in the bag model.

Physical review. D, Particles and fields

Schreiber AW, Signal AI, Thomas AW.
PMID: 10014155
Phys Rev D Part Fields. 1991 Nov 01;44(9):2653-2662. doi: 10.1103/physrevd.44.2653.

No abstract available.

Cite
Schreiber AW, Signal AI, Thomas AW. Structure functions in the bag model. Phys Rev D Part Fields. 1991;44(9):2653-2662doi: 10.1103/physrevd.44.2653.
Schreiber, A. W., Signal, A. I., & Thomas, A. W. (1991). Structure functions in the bag model. Physical review. D, Particles and fields, 44(9), 2653-2662. https://doi.org/10.1103/physrevd.44.2653
Schreiber, et al. "Structure functions in the bag model." Physical review. D, Particles and fields vol. 44,9 (1991): 2653-2662. doi: https://doi.org/10.1103/physrevd.44.2653
Schreiber AW, Signal AI, Thomas AW. Structure functions in the bag model. Phys Rev D Part Fields. 1991 Nov 01;44(9):2653-2662. doi: 10.1103/physrevd.44.2653. PMID: 10014155.
Copy Download .nbib Format: NLM
Density of states of disordered systems.

Physical review. B, Condensed matter

Hofstetter E, Nieuwenhuizen TM, Schreiber M, van Rossum MC.
PMID: 10010272
Phys Rev B Condens Matter. 1994 May 15;49(19):13377-13382. doi: 10.1103/physrevb.49.13377.

No abstract available.

Cite
Hofstetter E, Nieuwenhuizen TM, Schreiber M, et al. Density of states of disordered systems. Phys Rev B Condens Matter. 1994;49(19):13377-13382doi: 10.1103/physrevb.49.13377.
Hofstetter, E., Nieuwenhuizen, T. M., Schreiber, M., & van Rossum MC. (1994). Density of states of disordered systems. Physical review. B, Condensed matter, 49(19), 13377-13382. https://doi.org/10.1103/physrevb.49.13377
Hofstetter, et al. "Density of states of disordered systems." Physical review. B, Condensed matter vol. 49,19 (1994): 13377-13382. doi: https://doi.org/10.1103/physrevb.49.13377
Hofstetter E, Nieuwenhuizen TM, Schreiber M, van Rossum MC. Density of states of disordered systems. Phys Rev B Condens Matter. 1994 May 15;49(19):13377-13382. doi: 10.1103/physrevb.49.13377. PMID: 10010272.
Copy Download .nbib Format: NLM
Showing 13 to 24 of 290 entries