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Showing 1 to 12 of 235 entries
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A Comprehensive Analysis in Terms of Molecule-Intrinsic, Quasi-Atomic Orbitals. II. Strongly Correlated MCSCF Wave Functions.

The journal of physical chemistry. A

West AC, Schmidt MW, Gordon MS, Ruedenberg K.
PMID: 26376320
J Phys Chem A. 2015 Oct 15;119(41):10360-7. doi: 10.1021/acs.jpca.5b03399. Epub 2015 Oct 01.

A methodology is developed for the quantitative identification of the quasi-atomic orbitals that are embedded in a strongly correlated molecular wave function. The wave function is presumed to be generated from configurations in an internal orbital space whose dimension...

Seniority number description of potential energy surfaces: Symmetric dissociation of water, N2, C2, and Be2.

The Journal of chemical physics

Bytautas L, Scuseria GE, Ruedenberg K.
PMID: 26342357
J Chem Phys. 2015 Sep 07;143(9):094105. doi: 10.1063/1.4929904.

The present study further explores the concept of the seniority number (Ω) by examining different configuration interaction (CI) truncation strategies in generating compact wave functions in a systematic way. While the role of Ω in addressing static (strong) correlation...

Cell Fate Determination and the Switch from Diffuse Growth to Planar Polarity in Arabidopsis Root Epidermal Cells.

Frontiers in plant science

Balcerowicz D, Schoenaers S, Vissenberg K.
PMID: 26779192
Front Plant Sci. 2015 Dec 23;6:1163. doi: 10.3389/fpls.2015.01163. eCollection 2015.

Plant roots fulfill important functions as they serve in water and nutrient uptake, provide anchorage of the plant body in the soil and in some species form the site of symbiotic interactions with soil-living biota. Root hairs, tubular-shaped outgrowths...

Cardiac Rehabilitation Improves Survival but Not Health Status After AMI.

The American journal of nursing

Rosenberg K, Zolot J.
PMID: 28230699
Am J Nurs. 2017 Mar;117(3):70. doi: 10.1097/01.NAJ.0000513295.96451.8c.

No abstract available.

Molecular ecology notes: announcement of sister journal to molecular ecology.

Molecular ecology

Rieseberg L, Smith H.
PMID: 11091305
Mol Ecol. 2000 Nov;9(11):1686.

No abstract available.

Ultrasonic survey of follicular development following superovulation with a single application of pFSH, eCG or hMG in goats.

Small ruminant research : the journal of the International Goat Association

Riesenberg S, Meinecke-Tillmann S, Meinecke B.
PMID: 11259879
Small Rumin Res. 2001 Apr;40(1):83-93. doi: 10.1016/s0921-4488(00)00211-x.

During the breeding season, 42 adult German Improved Fawn nanny goats were superovulated with a single administration of pFSH, hMG or eCG at the end or a single dose of pFSH 36h before the end of estrus synchronization. Development...

Correlation energy extrapolation by intrinsic scaling. IV. Accurate binding energies of the homonuclear diatomic molecules carbon, nitrogen, oxygen, and fluorine.

The Journal of chemical physics

Bytautas L, Ruedenberg K.
PMID: 15945628
J Chem Phys. 2005 Apr 15;122(15):154110. doi: 10.1063/1.1869493.

The method of extrapolation by intrinsic scaling, recently introduced to obtain correlation energies, is generalized to multiconfigurational reference functions and used to calculate the binding energies of the diatomic molecules C2, N2, O2, and F2. First, accurate approximations to...

Ab initio potential energy curve of F2. IV. Transition from the covalent to the van der Waals region: competition between multipolar and correlation forces.

The Journal of chemical physics

Bytautas L, Ruedenberg K.
PMID: 19485431
J Chem Phys. 2009 May 28;130(20):204101. doi: 10.1063/1.3139114.

The potential energy curve of the fluorine molecule in the ground electronic state (1)Sigma(g)(+) is determined and analyzed in the long-range region. The analysis is based on expressing the potential as the sum of the potential energy curve of...

Evaluation of harmful algal bloom outreach activities.

Marine drugs

Fleming LE, Jerez E, Stephan WB, Cassedy A, Bean JA, Reich A, Kirkpatrick B, Backer L, Nierenberg K, Watkins S, Hollenbeck J, Weisman R.
PMID: 18463727
Mar Drugs. 2007 Dec 14;5(4):208-19. doi: 10.3390/md504208.

With an apparent increase of harmful algal blooms (HABs) worldwide, healthcare providers, public health personnel and coastal managers are struggling to provide scientifically-based appropriately-targeted HAB outreach and education. Since 1998, the Florida Poison Information Center-Miami, with its 24 hour/365...

Accurate ab initio potential energy curve of F2. I. Nonrelativistic full valence configuration interaction energies using the correlation energy extrapolation by intrinsic scaling method.

The Journal of chemical physics

Bytautas L, Nagata T, Gordon MS, Ruedenberg K.
PMID: 17979348
J Chem Phys. 2007 Oct 28;127(16):164317. doi: 10.1063/1.2800017.

The recently introduced method of correlation energy extrapolation by intrinsic scaling (CEEIS) is used to calculate the nonrelativistic electron correlations in the valence shell of the F(2) molecule at 13 internuclear distances along the ground state potential energy curve...

Is acid-induced extension in seed plants only protein-mediated?.

Plant signaling & behavior

Suslov D, Verbelen JP, Vissenberg K.
PMID: 20421739
Plant Signal Behav. 2010 Jun;5(6):757-9. doi: 10.4161/psb.5.6.11771. Epub 2010 Jun 01.

Cell wall extensibility controls the rate of plant cell growth. It is determined by intrinsic mechanical properties of wall polymers and by wall proteins modifying these polymers and their interactions. Heat-inactivation of endogenous cell wall proteins inhibited acid-induced extension...

Review of Florida Red Tide and Human Health Effects.

Harmful algae

Fleming LE, Kirkpatrick B, Backer LC, Walsh CJ, Nierenberg K, Clark J, Reich A, Hollenbeck J, Benson J, Cheng YS, Naar J, Pierce R, Bourdelais AJ, Abraham WM, Kirkpatrick G, Zaias J, Wanner A, Mendes E, Shalat S, Hoagland P, Stephan W, Bean J, Watkins S, Clarke T, Byrne M, Baden DG.
PMID: 21218152
Harmful Algae. 2011 Jan 01;10(2):224-233. doi: 10.1016/j.hal.2010.08.006.

This paper reviews the literature describing research performed over the past decade on the known and possible exposures and human health effects associated with Florida red tides. These harmful algal blooms are caused by the dinoflagellate, Karenia brevis, and...

Showing 1 to 12 of 235 entries