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Accurate ab initio density fitting for multiconfigurational self-consistent field methods.

The Journal of chemical physics

Aquilante F, Pedersen TB, Lindh R, Roos BO, Sánchez de Merás A, Koch H.
PMID: 18624522
J Chem Phys. 2008 Jul 14;129(2):024113. doi: 10.1063/1.2953696.

Using Cholesky decomposition and density fitting to approximate the electron repulsion integrals, an implementation of the complete active space self-consistent field (CASSCF) method suitable for large-scale applications is presented. Sample calculations on benzene, diaquo-tetra-mu-acetato-dicopper(II), and diuraniumendofullerene demonstrate that the...

Estrogen alters oxytocin mRNA levels in the preoptic area.

Journal of neuroendocrinology

Caldwell JD, Brooks PJ, Jirikowski GF, Barakat AS, Lund PK, Pedersen CA.
PMID: 19210440
J Neuroendocrinol. 1989 Aug 01;1(4):273-8. doi: 10.1111/j.1365-2826.1989.tb00115.x.

Abstract Estrogen has numerous effects on immunoreactive levels of oxytocin (OXT) centrally, particularly in the preoptic lateral subcommissural nucleus (LSN). In this study in situ hybridization of a 38-base oligodeoxyribonucleotide (38mer) complementary to OXT mRNA revealed that estrogen treatment...

Inclusive cultural empathy for successful global leadership.

The American psychologist

Pedersen PB, Pope M.
PMID: 21058803
Am Psychol. 2010 Nov;65(8):841-54. doi: 10.1037/0003-066X.65.8.841.

Empathy is reported in the research literature as a necessary factor in counseling and psychotherapy, but psychologists have historically interpreted empathy through an exclusively individual focus. Most of the research on empathy has been predicated on a definition of...

Mitochondrial proteomics on human fibroblasts for identification of metabolic imbalance and cellular stress.

Proteome science

Palmfeldt J, Vang S, Stenbroen V, Pedersen CB, Christensen JH, Bross P, Gregersen N.
PMID: 19476632
Proteome Sci. 2009 May 28;7:20. doi: 10.1186/1477-5956-7-20.

BACKGROUND: Mitochondrial proteins are central to various metabolic activities and are key regulators of apoptosis. Disturbance of mitochondrial proteins is therefore often associated with disease. Large scale protein data are required to capture the mitochondrial protein levels and mass...

Identification of the entire chromosome complement of bread wheat by two-colour FISH.


Pedersen C, Langridge P.
PMID: 18464850
Genome. 1997 Oct;40(5):589-93. doi: 10.1139/g97-077.

Using the Aegilops tauschii clone pAs1 together with the barley clone pHvG38 for two-colour fluorescence in situ hybridization (FISH) the entire chromosome complement of hexaploid wheat was identified. The combination of the two probes allowed easy discrimination of the...

A bent electrostatic ion beam trap for simultaneous measurements of fragmentation and ionization of cluster ions.

The Review of scientific instruments

Aviv O, Toker Y, Errit M, Bhushan KG, Pedersen HB, Rappaport ML, Heber O, Schwalm D, Zajfman D.
PMID: 19044339
Rev Sci Instrum. 2008 Aug;79(8):083110. doi: 10.1063/1.2972151.

We describe a bent electrostatic ion beam trap in which cluster ions of several keV kinetic energy can be stored on a V-shaped trajectory by means of an electrostatic deflector placed between two electrostatic mirrors. While maintaining all the...

Adjusting mobility scales of ion mobility spectrometers using 2,6-DtBP as a reference compound.


Viitanen AK, Mauriala T, Mattila T, Adamov A, Pedersen CS, Mäkelä JM, Marjamäki M, Sysoev A, Keskinen J, Kotiaho T.
PMID: 18761181
Talanta. 2008 Sep 15;76(5):1218-23. doi: 10.1016/j.talanta.2008.05.030. Epub 2008 May 29.

Performance of several time-of-flight (TOF) type ion mobility spectrometers (IMS) was compared in a joint measurement campaign and their mobility scales were adjusted based on the measurements. A standard reference compound 2,6-di-tert butylpyridine (2,6-DtBP) was used to create a...

Diode-pumped single-frequency Nd:YVO(4) laser with a set of coupled resonators.

Optics letters

Pedersen C, Hansen PL, Skettrup T, Buchhave P.
PMID: 19862024
Opt Lett. 1995 Jun 15;20(12):1389-91. doi: 10.1364/ol.20.001389.

350 mW of single-frequency power from a diode-pumped solid-state Nd:YVO(4) laser has been obtained from a coupled resonator design without any intracavity elements. Single-frequency operation was obtained by use of a very short laser rod and a coupled resonator...

Rotational cooling of HD+ molecular ions by superelastic collisions with electrons.

Physical review letters

Shafir D, Novotny S, Buhr H, Altevogt S, Faure A, Grieser M, Harvey AG, Heber O, Hoffmann J, Kreckel H, Lammich L, Nevo I, Pedersen HB, Rubinstein H, Schneider IF, Schwalm D, Tennyson J, Wolf A, Zajfman D.
PMID: 19658863
Phys Rev Lett. 2009 Jun 05;102(22):223202. doi: 10.1103/PhysRevLett.102.223202. Epub 2009 Jun 05.

Merging an HD+ beam with velocity matched electrons in a heavy ion storage ring we observed rapid cooling of the rotational excitations of the HD+ ions by superelastic collisions (SEC) with the electrons. The cooling process is well described...

Theory of angle-resolved photoemission from the cuprate superconductors.

Physical review. B, Condensed matter

Hedegrd P, Pedersen MB.
PMID: 9996913
Phys Rev B Condens Matter. 1991 May 01;43(13):11504-11507. doi: 10.1103/physrevb.43.11504.

No abstract available.

Effective bond-orbital method tested on an exactly solvable model.

Physical review. B, Condensed matter

Einevoll GT, Hemmer PC, Pedersen FB.
PMID: 10001212
Phys Rev B Condens Matter. 1992 May 15;45(20):11949-11959. doi: 10.1103/physrevb.45.11949.

No abstract available.

Energy levels of one and two holes in parabolic quantum dots.

Physical review. B, Condensed matter

Chang YC, Pedersen FB.
PMID: 9983613
Phys Rev B Condens Matter. 1996 Jan 15;53(3):1507-1516. doi: 10.1103/physrevb.53.1507.

No abstract available.

Showing 361 to 372 of 579 entries