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Showing 1 to 12 of 235 entries
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Polymorphisms of the glucocorticoid receptor and avascular necrosis of the femoral heads after treatment with corticosteroids.

NDT plus

Bouamar R, Koper JW, van Rossum EF, Weimar W, van Gelder T.
PMID: 25949351
NDT Plus. 2009 Oct;2(5):384-6. doi: 10.1093/ndtplus/sfp082. Epub 2009 Jul 06.

A female patient developed avascular necrosis of the femoral heads after receiving low doses of glucocorticosteroids (GC) for 3 months. Genotyping of the GC receptor (GR) showed that she was heterozygous for the Bcl-1 allele and heterozygous for the...

Description of spin-orbit coupling in excited states with two-component methods based on approximate coupled-cluster theory.

The Journal of chemical physics

Krause K, Klopper W.
PMID: 25770528
J Chem Phys. 2015 Mar 14;142(10):104109. doi: 10.1063/1.4908536.

A generalization of the approximated coupled-cluster singles and doubles method and the algebraic diagrammatic construction scheme up to second order to two-component spinors obtained from a relativistic Hartree-Fock calculation is reported. Computational results for zero-field splittings of atoms and...

Explicitly correlated ring-coupled-cluster-doubles theory.

The Journal of chemical physics

Hehn AS, Tew DP, Klopper W.
PMID: 26001446
J Chem Phys. 2015 May 21;142(19):194106. doi: 10.1063/1.4921256.

The connection between the random-phase approximation and the ring-coupled-cluster-doubles method bridges the gap between density-functional and wave-function theories and the importance of the random-phase approximation lies in both its broad applicability and this linking role in electronic-structure theory. In...

Density Functional Theory Study of the Formation of Naphthalene and Phenanthrene from Reactions of Phenyl with Vinyl- and Phenylacetylene.

Journal of chemical theory and computation

Aguilera-Iparraguirre J, Klopper W.
PMID: 26627160
J Chem Theory Comput. 2007 Jan;3(1):139-45. doi: 10.1021/ct600255u.

Reaction pathways for polycyclic aromatic hydrocarbon growth from reactions of either vinyl- or phenylacetylene with a phenyl radical are proposed and investigated using density functional theory (DFT). B3LYP/TZVP calculations are performed to obtain structures of minima and saddle points...

National standards for diabetes self-management education.

Diabetes care

Mensing C, Boucher J, Cypress M, Weinger K, Mulcahy K, Barta P, Hosey G, Kopher W, Lasichak A, Lamb B, Mangan M, Norman J, Tanja J, Yauk L, Wisdom K, Adams C.
PMID: 12502650
Diabetes Care. 2003 Jan;26:S149-56. doi: 10.2337/diacare.26.2007.s149.

No abstract available.

[The Bier block as an experimental tool to differentiate peripheral and central effects of analgesics on people].

Schmerz (Berlin, Germany)

Koppert W, Sittl R, Schmelz M.
PMID: 12800042
Schmerz. 2000 Apr;14(2):69-76. doi: 10.1007/s004820000046.

AIMS: In this study the technique of intravenous regional anesthesia (Bier block) was evaluated as an experimental tool to differentiate peripheral and central effects of analgesics.METHODS: Touch and pain thresholds were assessed under control conditions and during a prolonged...

Accurate computational determination of the binding energy of the SO3 x H2O complex.

The Journal of chemical physics

Fliegl H, Glöss A, Welz O, Olzmann M, Klopper W.
PMID: 16942218
J Chem Phys. 2006 Aug 07;125(5):054312. doi: 10.1063/1.2234372.

Reliable thermochemical data for the reaction SO3 + H2OSO3 x H2O (1a) are of crucial importance for an adequate modeling of the homogeneous H2SO4 formation in the atmosphere. We report on high-level quantum chemical calculations to predict the binding...

Analytic calculation of first-order molecular properties at the explicitly correlated second-order Moller-Plesset level: basis-set limits for the molecular quadrupole moments of BH and HF.

The Journal of chemical physics

Kordel E, Villani C, Klopper W.
PMID: 15974737
J Chem Phys. 2005 Jun 01;122(21):214306. doi: 10.1063/1.1924591.

The analytic calculation of first-order properties has been implemented in the DALTON program at the level of explicitly correlated second-order Moller-Plesset perturbation theory (MP2-R12). The implementation has been accomplished for MP2-R12 theory based on standard approximations A, A', and...

Some Comments on a New University.

Science (New York, N.Y.)

Kopper PH, Seifriz W.
PMID: 17797762
Science. 1954 Oct 15;120(3120):617-8. doi: 10.1126/science.120.3120.617.

No abstract available.

Shaping the future.

Scientific American

Popper SW, Lempert RJ, Bankes SC.
PMID: 15915814
Sci Am. 2005 Apr;292(4):48-53.

No abstract available.

Sudden death and tricyclic antidepressants: clinical considerations for children.

Journal of child and adolescent psychopharmacology

Popper CW, Elliott GR.
PMID: 19630660
J Child Adolesc Psychopharmacol. 1990;1(2):125-32. doi: 10.1089/cap.1990.1.125.

ABSTRACT The sudden collapse and death in three prepubertal children during routine treatment with desipramine was recently reported in brief statements. Insufficient clinical information is available to infer a cause-and-effect relationship between the therapeutic use of desipramine and sudden...

Accurate coupled cluster calculations of the reaction barrier heights of two CH3* + CH4 reactions.

The journal of physical chemistry. A

Klopper W, Bachorz RA, Tew DP, Aguilera-Iparraguirre J, Carissan Y, Hättig C.
PMID: 19634876
J Phys Chem A. 2009 Oct 29;113(43):11679-84. doi: 10.1021/jp902753s.

We have computed barrier heights of 71.8 +/- 2.0 and 216.4 +/- 2.0 kJ mol(-1) for the reactions CH4 + CH3* --> CH3* + CH4 and CH4 + CH3* --> H* + C2H6, respectively, using explicitly correlated coupled cluster...

Showing 1 to 12 of 235 entries