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Showing 1 to 12 of 231 entries
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[Fantasy as a tool].

Sygeplejersken

Kjaergaard G.
PMID: 2237793
Sygeplejersken. 1990 Jul 11;90(28):12-3, 24.

No abstract available.

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Kjaergaard G. Fantasien som vaerktøj. [Fantasy as a tool]. Sygeplejersken. 1990;90(28):12-3, 24
Kjaergaard, G. (1990). Fantasien som vaerktøj. [Fantasy as a tool]. Sygeplejersken, 90(28), 12-3, 24.
Kjaergaard, G. "Fantasien som vaerktøj." [Fantasy as a tool]. Sygeplejersken vol. 90,28 (1990): 12-3, 24.
Kjaergaard G. Fantasien som vaerktøj. [Fantasy as a tool]. Sygeplejersken. 1990 Jul 11;90(28):12-3, 24. Danish. PMID: 2237793.
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Interactions between tetrathiafulvalene units in dimeric structures - the influence of cyclic cores.

Beilstein journal of organic chemistry

Jiang H, Mazzanti V, Parker CR, Broman SL, Wallberg JH, Lušpai K, Brincko A, Kjaergaard HG, Kadziola A, Rapta P, Hammerich O, Nielsen MB.
PMID: 26124895
Beilstein J Org Chem. 2015 Jun 02;11:930-48. doi: 10.3762/bjoc.11.104. eCollection 2015.

A selection of cyclic and acyclic acetylenic scaffolds bearing two tetrathiafulvalene (TTF) units was prepared by different metal-catalyzed coupling reactions. The bridge separating the two TTF units was systematically changed from linearly conjugated ethyne, butadiyne and tetraethynylethene (trans-substituted) units...

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Jiang H, Mazzanti V, Parker CR, et al. Interactions between tetrathiafulvalene units in dimeric structures - the influence of cyclic cores. Beilstein J Org Chem. 2015;11:930-48doi: 10.3762/bjoc.11.104.
Jiang, H., Mazzanti, V., Parker, C. R., Broman, S. L., Wallberg, J. H., Lušpai, K., Brincko, A., Kjaergaard, H. G., Kadziola, A., Rapta, P., Hammerich, O., & Nielsen, M. B. (2015). Interactions between tetrathiafulvalene units in dimeric structures - the influence of cyclic cores. Beilstein journal of organic chemistry, 11930-48. https://doi.org/10.3762/bjoc.11.104
Jiang, Huixin, et al. "Interactions between tetrathiafulvalene units in dimeric structures - the influence of cyclic cores." Beilstein journal of organic chemistry vol. 11 (2015): 930-48. doi: https://doi.org/10.3762/bjoc.11.104
Jiang H, Mazzanti V, Parker CR, Broman SL, Wallberg JH, Lušpai K, Brincko A, Kjaergaard HG, Kadziola A, Rapta P, Hammerich O, Nielsen MB. Interactions between tetrathiafulvalene units in dimeric structures - the influence of cyclic cores. Beilstein J Org Chem. 2015 Jun 02;11:930-48. doi: 10.3762/bjoc.11.104. eCollection 2015. PMID: 26124895; PMCID: PMC4464444.
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The effect of large amplitude motions on the vibrational intensities in hydrogen bonded complexes.

The Journal of chemical physics

Mackeprang K, Hänninen V, Halonen L, Kjaergaard HG.
PMID: 25747078
J Chem Phys. 2015 Mar 07;142(9):094304. doi: 10.1063/1.4913737.

We have developed a model to calculate accurately the intensity of the hydrogen bonded XH-stretching vibrational transition in hydrogen bonded complexes. In the Local Mode Perturbation Theory (LMPT) model, the unperturbed system is described by a local mode (LM)...

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Mackeprang K, Hänninen V, Halonen L, et al. The effect of large amplitude motions on the vibrational intensities in hydrogen bonded complexes. J Chem Phys. 2015;142(9):094304doi: 10.1063/1.4913737.
Mackeprang, K., Hänninen, V., Halonen, L., & Kjaergaard, H. G. (2015). The effect of large amplitude motions on the vibrational intensities in hydrogen bonded complexes. The Journal of chemical physics, 142(9), 094304. https://doi.org/10.1063/1.4913737
Mackeprang, Kasper, et al. "The effect of large amplitude motions on the vibrational intensities in hydrogen bonded complexes." The Journal of chemical physics vol. 142,9 (2015): 094304. doi: https://doi.org/10.1063/1.4913737
Mackeprang K, Hänninen V, Halonen L, Kjaergaard HG. The effect of large amplitude motions on the vibrational intensities in hydrogen bonded complexes. J Chem Phys. 2015 Mar 07;142(9):094304. doi: 10.1063/1.4913737. PMID: 25747078.
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Benchmarking ab initio binding energies of hydrogen-bonded molecular clusters based on FTIR spectroscopy.

The journal of physical chemistry. A

Bork N, Du L, Reiman H, Kurtén T, Kjaergaard HG.
PMID: 24988143
J Phys Chem A. 2014 Jul 17;118(28):5316-22. doi: 10.1021/jp5037537. Epub 2014 Jul 02.

Models of formation and growth of atmospheric aerosols are highly dependent on accurate cluster binding energies. These are most often calculated by ab initio electronic structure methods but remain associated with significant uncertainties. We present a computational benchmarking study...

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Bork N, Du L, Reiman H, et al. Benchmarking ab initio binding energies of hydrogen-bonded molecular clusters based on FTIR spectroscopy. J Phys Chem A. 2014;118(28):5316-22doi: 10.1021/jp5037537.
Bork, N., Du, L., Reiman, H., Kurtén, T., & Kjaergaard, H. G. (2014). Benchmarking ab initio binding energies of hydrogen-bonded molecular clusters based on FTIR spectroscopy. The journal of physical chemistry. A, 118(28), 5316-22. https://doi.org/10.1021/jp5037537
Bork, Nicolai, et al. "Benchmarking ab initio binding energies of hydrogen-bonded molecular clusters based on FTIR spectroscopy." The journal of physical chemistry. A vol. 118,28 (2014): 5316-22. doi: https://doi.org/10.1021/jp5037537
Bork N, Du L, Reiman H, Kurtén T, Kjaergaard HG. Benchmarking ab initio binding energies of hydrogen-bonded molecular clusters based on FTIR spectroscopy. J Phys Chem A. 2014 Jul 17;118(28):5316-22. doi: 10.1021/jp5037537. Epub 2014 Jul 02. PMID: 24988143.
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Production and Fate of C4 Dihydroxycarbonyl Compounds from Isoprene Oxidation.

The journal of physical chemistry. A

Bates KH, Nguyen TB, Teng AP, Crounse JD, Kjaergaard HG, Stoltz BM, Seinfeld JH, Wennberg PO.
PMID: 26669676
J Phys Chem A. 2016 Jan 14;120(1):106-17. doi: 10.1021/acs.jpca.5b10335. Epub 2016 Jan 04.

Isoprene epoxydiols (IEPOX) are formed in high yield as second-generation products of atmospheric isoprene oxidation in pristine (low-NO) environments. IEPOX has received significant attention for its ability to form secondary organic aerosol, but the fate of IEPOX in the...

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Bates KH, Nguyen TB, Teng AP, et al. Production and Fate of C4 Dihydroxycarbonyl Compounds from Isoprene Oxidation. J Phys Chem A. 2016;120(1):106-17doi: 10.1021/acs.jpca.5b10335.
Bates, K. H., Nguyen, T. B., Teng, A. P., Crounse, J. D., Kjaergaard, H. G., Stoltz, B. M., Seinfeld, J. H., & Wennberg, P. O. (2016). Production and Fate of C4 Dihydroxycarbonyl Compounds from Isoprene Oxidation. The journal of physical chemistry. A, 120(1), 106-17. https://doi.org/10.1021/acs.jpca.5b10335
Bates, Kelvin H, et al. "Production and Fate of C4 Dihydroxycarbonyl Compounds from Isoprene Oxidation." The journal of physical chemistry. A vol. 120,1 (2016): 106-17. doi: https://doi.org/10.1021/acs.jpca.5b10335
Bates KH, Nguyen TB, Teng AP, Crounse JD, Kjaergaard HG, Stoltz BM, Seinfeld JH, Wennberg PO. Production and Fate of C4 Dihydroxycarbonyl Compounds from Isoprene Oxidation. J Phys Chem A. 2016 Jan 14;120(1):106-17. doi: 10.1021/acs.jpca.5b10335. Epub 2016 Jan 04. PMID: 26669676.
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Atmospheric fate of methyl vinyl ketone: peroxy radical reactions with NO and HO2.

The journal of physical chemistry. A

Praske E, Crounse JD, Bates KH, Kurtén T, Kjaergaard HG, Wennberg PO.
PMID: 25486386
J Phys Chem A. 2015 May 14;119(19):4562-72. doi: 10.1021/jp5107058. Epub 2015 Jan 08.

First generation product yields from the OH-initiated oxidation of methyl vinyl ketone (3-buten-2-one, MVK) under both low and high NO conditions are reported. In the low NO chemistry, three distinct reaction channels are identified leading to the formation of...

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Praske E, Crounse JD, Bates KH, et al. Atmospheric fate of methyl vinyl ketone: peroxy radical reactions with NO and HO2. J Phys Chem A. 2015;119(19):4562-72doi: 10.1021/jp5107058.
Praske, E., Crounse, J. D., Bates, K. H., Kurtén, T., Kjaergaard, H. G., & Wennberg, P. O. (2015). Atmospheric fate of methyl vinyl ketone: peroxy radical reactions with NO and HO2. The journal of physical chemistry. A, 119(19), 4562-72. https://doi.org/10.1021/jp5107058
Praske, Eric, et al. "Atmospheric fate of methyl vinyl ketone: peroxy radical reactions with NO and HO2." The journal of physical chemistry. A vol. 119,19 (2015): 4562-72. doi: https://doi.org/10.1021/jp5107058
Praske E, Crounse JD, Bates KH, Kurtén T, Kjaergaard HG, Wennberg PO. Atmospheric fate of methyl vinyl ketone: peroxy radical reactions with NO and HO2. J Phys Chem A. 2015 May 14;119(19):4562-72. doi: 10.1021/jp5107058. Epub 2015 Jan 08. PMID: 25486386.
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Characterisation of dihydroazulene and vinylheptafulvene derivatives using Raman spectroscopy: The CN-stretching region.

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy

Hansen AS, Mackeprang K, Broman SL, Hansen MH, Gertsen AS, Kildgaard JV, Nielsen OF, Mikkelsen KV, Nielsen MB, Kjaergaard HG.
PMID: 26956529
Spectrochim Acta A Mol Biomol Spectrosc. 2016 May 15;161:70-6. doi: 10.1016/j.saa.2016.02.017. Epub 2016 Feb 27.

The effect of adding electron donating and withdrawing groups on the dihydroazulene (DHA)/vinylheptafulvene (VHF) photochromic system has been investigated using Raman spectroscopy in CS2 solutions. The photoswitching between DHA and VHF is often characterised with UV-Vis spectroscopy. However, Raman...

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Hansen AS, Mackeprang K, Broman SL, et al. Characterisation of dihydroazulene and vinylheptafulvene derivatives using Raman spectroscopy: The CN-stretching region. Spectrochim Acta A Mol Biomol Spectrosc. 2016;161:70-6doi: 10.1016/j.saa.2016.02.017.
Hansen, A. S., Mackeprang, K., Broman, S. L., Hansen, M. H., Gertsen, A. S., Kildgaard, J. V., Nielsen, O. F., Mikkelsen, K. V., Nielsen, M. B., & Kjaergaard, H. G. (2016). Characterisation of dihydroazulene and vinylheptafulvene derivatives using Raman spectroscopy: The CN-stretching region. Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 16170-6. https://doi.org/10.1016/j.saa.2016.02.017
Hansen, Anne S, et al. "Characterisation of dihydroazulene and vinylheptafulvene derivatives using Raman spectroscopy: The CN-stretching region." Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy vol. 161 (2016): 70-6. doi: https://doi.org/10.1016/j.saa.2016.02.017
Hansen AS, Mackeprang K, Broman SL, Hansen MH, Gertsen AS, Kildgaard JV, Nielsen OF, Mikkelsen KV, Nielsen MB, Kjaergaard HG. Characterisation of dihydroazulene and vinylheptafulvene derivatives using Raman spectroscopy: The CN-stretching region. Spectrochim Acta A Mol Biomol Spectrosc. 2016 May 15;161:70-6. doi: 10.1016/j.saa.2016.02.017. Epub 2016 Feb 27. PMID: 26956529.
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Spectroscopy and dynamics of double proton transfer in formic acid dimer.

Physical chemistry chemical physics : PCCP

Mackeprang K, Xu ZH, Maroun Z, Meuwly M, Kjaergaard HG.
PMID: 27545453
Phys Chem Chem Phys. 2016 Sep 21;18(35):24654-62. doi: 10.1039/c6cp03462d. Epub 2016 Aug 22.

We present the isolated gas phase infrared spectra of formic acid dimer, (HCOOH)2, and its deuterated counterpart formic-d acid, (DCOOH)2, at room temperature. The formic acid dimer spectrum was obtained by spectral subtraction of a spectrum of formic acid...

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Mackeprang K, Xu ZH, Maroun Z, et al. Spectroscopy and dynamics of double proton transfer in formic acid dimer. Phys Chem Chem Phys. 2016;18(35):24654-62doi: 10.1039/c6cp03462d.
Mackeprang, K., Xu, Z. H., Maroun, Z., Meuwly, M., & Kjaergaard, H. G. (2016). Spectroscopy and dynamics of double proton transfer in formic acid dimer. Physical chemistry chemical physics : PCCP, 18(35), 24654-62. https://doi.org/10.1039/c6cp03462d
Mackeprang, Kasper, et al. "Spectroscopy and dynamics of double proton transfer in formic acid dimer." Physical chemistry chemical physics : PCCP vol. 18,35 (2016): 24654-62. doi: https://doi.org/10.1039/c6cp03462d
Mackeprang K, Xu ZH, Maroun Z, Meuwly M, Kjaergaard HG. Spectroscopy and dynamics of double proton transfer in formic acid dimer. Phys Chem Chem Phys. 2016 Sep 21;18(35):24654-62. doi: 10.1039/c6cp03462d. Epub 2016 Aug 22. PMID: 27545453.
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Positively Charged Phosphorus as a Hydrogen Bond Acceptor.

The journal of physical chemistry letters

Hansen AS, Du L, Kjaergaard HG.
PMID: 26278958
J Phys Chem Lett. 2014 Dec 04;5(23):4225-31. doi: 10.1021/jz502150d. Epub 2014 Nov 24.

Phosphorus (P) is an element that is essential to the life of all organisms, and the atmospheric detection of phosphine suggests the existence of a volatile biogeochemical P cycle. Here, we investigate the ability of P to participate in...

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Hansen AS, Du L, Kjaergaard HG. Positively Charged Phosphorus as a Hydrogen Bond Acceptor. J Phys Chem Lett. 2014;5(23):4225-31doi: 10.1021/jz502150d.
Hansen, A. S., Du, L., & Kjaergaard, H. G. (2014). Positively Charged Phosphorus as a Hydrogen Bond Acceptor. The journal of physical chemistry letters, 5(23), 4225-31. https://doi.org/10.1021/jz502150d
Hansen, Anne S, et al. "Positively Charged Phosphorus as a Hydrogen Bond Acceptor." The journal of physical chemistry letters vol. 5,23 (2014): 4225-31. doi: https://doi.org/10.1021/jz502150d
Hansen AS, Du L, Kjaergaard HG. Positively Charged Phosphorus as a Hydrogen Bond Acceptor. J Phys Chem Lett. 2014 Dec 04;5(23):4225-31. doi: 10.1021/jz502150d. Epub 2014 Nov 24. PMID: 26278958.
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Intramolecular Hydrogen Bonding in Substituted Aminoalcohols.

The journal of physical chemistry. A

Lane JR, Schrøder SD, Saunders GC, Kjaergaard HG.
PMID: 27447952
J Phys Chem A. 2016 Aug 18;120(32):6371-8. doi: 10.1021/acs.jpca.6b05898. Epub 2016 Aug 03.

The qualifying features of a hydrogen bond can be contentious, particularly where the hydrogen bond is due to a constrained intramolecular interaction. Indeed there is disagreement within the literature whether it is even possible for an intramolecular hydrogen bond...

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Lane JR, Schrøder SD, Saunders GC, et al. Intramolecular Hydrogen Bonding in Substituted Aminoalcohols. J Phys Chem A. 2016;120(32):6371-8doi: 10.1021/acs.jpca.6b05898.
Lane, J. R., Schrøder, S. D., Saunders, G. C., & Kjaergaard, H. G. (2016). Intramolecular Hydrogen Bonding in Substituted Aminoalcohols. The journal of physical chemistry. A, 120(32), 6371-8. https://doi.org/10.1021/acs.jpca.6b05898
Lane, Joseph R, et al. "Intramolecular Hydrogen Bonding in Substituted Aminoalcohols." The journal of physical chemistry. A vol. 120,32 (2016): 6371-8. doi: https://doi.org/10.1021/acs.jpca.6b05898
Lane JR, Schrøder SD, Saunders GC, Kjaergaard HG. Intramolecular Hydrogen Bonding in Substituted Aminoalcohols. J Phys Chem A. 2016 Aug 18;120(32):6371-8. doi: 10.1021/acs.jpca.6b05898. Epub 2016 Aug 03. PMID: 27447952.
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Computational Study of Hydrogen Shifts and Ring-Opening Mechanisms in α-Pinene Ozonolysis Products.

The journal of physical chemistry. A

Kurtén T, Rissanen MP, Mackeprang K, Thornton JA, Hyttinen N, Jørgensen S, Ehn M, Kjaergaard HG.
PMID: 26529548
J Phys Chem A. 2015 Nov 19;119(46):11366-75. doi: 10.1021/acs.jpca.5b08948. Epub 2015 Nov 10.

Autoxidation by sequential peroxy radical hydrogen shifts (H-shifts) and O2 additions has recently emerged as a promising mechanism for the rapid formation of highly oxidized, low-volatility organic compounds in the atmosphere. A key prerequisite for autoxidation is that the...

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Kurtén T, Rissanen MP, Mackeprang K, et al. Computational Study of Hydrogen Shifts and Ring-Opening Mechanisms in α-Pinene Ozonolysis Products. J Phys Chem A. 2015;119(46):11366-75doi: 10.1021/acs.jpca.5b08948.
Kurtén, T., Rissanen, M. P., Mackeprang, K., Thornton, J. A., Hyttinen, N., Jørgensen, S., Ehn, M., & Kjaergaard, H. G. (2015). Computational Study of Hydrogen Shifts and Ring-Opening Mechanisms in α-Pinene Ozonolysis Products. The journal of physical chemistry. A, 119(46), 11366-75. https://doi.org/10.1021/acs.jpca.5b08948
Kurtén, Theo, et al. "Computational Study of Hydrogen Shifts and Ring-Opening Mechanisms in α-Pinene Ozonolysis Products." The journal of physical chemistry. A vol. 119,46 (2015): 11366-75. doi: https://doi.org/10.1021/acs.jpca.5b08948
Kurtén T, Rissanen MP, Mackeprang K, Thornton JA, Hyttinen N, Jørgensen S, Ehn M, Kjaergaard HG. Computational Study of Hydrogen Shifts and Ring-Opening Mechanisms in α-Pinene Ozonolysis Products. J Phys Chem A. 2015 Nov 19;119(46):11366-75. doi: 10.1021/acs.jpca.5b08948. Epub 2015 Nov 10. PMID: 26529548.
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Preserving residual renal function in dialysis patients: an update on evidence to assist clinical decision making.

NDT plus

Kjaergaard KD, Jensen JD, Peters CD, Jespersen B.
PMID: 25949486
NDT Plus. 2011 Aug;4(4):225-30. doi: 10.1093/ndtplus/sfr035. Epub 2011 Apr 04.

It has been documented that preservation of residual renal function in dialysis patients improves quality of life as well as survival. Clinical trials on strategies to preserve residual renal function are clearly lacking. While waiting for more results from...

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Kjaergaard KD, Jensen JD, Peters CD, et al. Preserving residual renal function in dialysis patients: an update on evidence to assist clinical decision making. NDT Plus. 2011;4(4):225-30doi: 10.1093/ndtplus/sfr035.
Kjaergaard, K. D., Jensen, J. D., Peters, C. D., & Jespersen, B. (2011). Preserving residual renal function in dialysis patients: an update on evidence to assist clinical decision making. NDT plus, 4(4), 225-30. https://doi.org/10.1093/ndtplus/sfr035
Kjaergaard, Krista Dybtved, et al. "Preserving residual renal function in dialysis patients: an update on evidence to assist clinical decision making." NDT plus vol. 4,4 (2011): 225-30. doi: https://doi.org/10.1093/ndtplus/sfr035
Kjaergaard KD, Jensen JD, Peters CD, Jespersen B. Preserving residual renal function in dialysis patients: an update on evidence to assist clinical decision making. NDT Plus. 2011 Aug;4(4):225-30. doi: 10.1093/ndtplus/sfr035. Epub 2011 Apr 04. PMID: 25949486; PMCID: PMC4421450.
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Showing 1 to 12 of 231 entries