Publications for Annika Lenz
Co-author map based on ISI articles 2007-

Publications mentioned in social media 5 times*

Keywords

water spectra quantum-chemical nanoparticles molecules model liquid larger ir h-bond energy energies computations clusters cluster b3lyp aromatic adsorption acids (hsub>

Journal Articles

Annika Lenz, Anna Pohl, Lars Ojamäe and Petter Persson
  Computational study of the catalytic effect of platinum on the decomposition of DNT
  International Journal of Quantum Chemistry, 2012, 112(7), 1852-1858.
 Web of Science® Times Cited: 2

Annika Lenz, Hans Kariis, Anna Pohl, Petter Persson and Lars Ojamäe
  The electronic structure and reflectivity of PEDOT:PSS from density functional theory
  Chemical Physics, 2011, 384(03-jan), 44-51.
   Fulltext  PDF  
 Web of Science® Times Cited: 10

Annika Lenz and Lars Ojamäe
  Structures of the I-, II- and H-Methane Clathrates and the Ice−Methane Clathrate Phase Transition from Quantum-Chemical Modeling with Force-Field Thermal Corrections
  Journal of Physical Chemistry A, 2011, 115(23), 6169-6176.
 Web of Science® Times Cited: 7

C Huang, K T Wikfeldt, T Tokushima, D Nordlund, Y Harada, U Bergmann, M Niebuhr, T M Weiss, Y Horikawa, M Leetmaa, M P Ljungberg, O Takahashi, Annika Lenz, Lars Ojamäe, A P Lyubartsev, S Shin, L G M Pettersson and A Nilsson
  Letter: Reply to Soper et al.: Fluctuations in water around a bimodal distribution of local hydrogen-bonded structural motifs
  Proceedings of the National Academy of Sciences of the United States of America, 2010, 107(12), E45-E45.
 Web of Science® Times Cited: 24

Annika Lenz and Lars Ojamäe
  Computational studies of the stability of the (H2O)100 nanodrop
  Journal of Molecular Structure: THEOCHEM, 2010, 944(1-3), 163-167.
   Fulltext  PDF  
 Web of Science® Times Cited: 7

Annika Lenz, Linnea Selegård, Fredrik Söderlind, Arvid Larsson, Per-Olof Holtz, Kajsa Uvdal, Lars Ojamäe and Per-Olov Käll
  ZnO Nanoparticles Functionalized with Organic Acids: An Experimental and Quantum-Chemical Study
  The Journal of Physical Chemistry C, 2009, 113(40), 17332-17341.
 Web of Science® Times Cited: 22

Annika Lenz and Lars Ojamäe
  A theoretical study of water equilibria: The cluster distribution versus temperature and pressure for (H2O)n, n=1–60, and ice
  Journal of Chemical Physics, 2009, 131(13), 134302-134302-13.

C Huang, K T Wikfeldt, T Tokushima, D Nordlund, Y Harada, U Bergmann, M Niebuhr, T M Weiss, Y Horikawa, M Leetmaa, M P Ljungberg, O Takahashi, Annika Lenz, Lars Ojamäe, A P Lyubartsev, S Shin, L G M Pettersson and A Nilsson
  The inhomogeneous structure of water at ambient conditions
 
Altmetric usage: 5

  PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 2009, 106(36), 15214-15218.
   Fulltext  PDF  
 Web of Science® Times Cited: 198

Annika Lenz, Maria Karlsson and Lars Ojamäe
  Quantum-chemical investigations of phenol and larger aromatic molecules at the TiO2 anatase (101) surface
  Journal of Physics, Conference Series, 2008, 117, 012020-(8 pp).
 Web of Science® Times Cited: 6

Annika Lenz and Lars Ojamäe
  Theoretical IR spectra for water clusters (H2O)n (n = 6-22, 28, 30) and identification of spectral contributions from different H-Bond conformations in gaseous and liquid water
  Journal of Physical Chemistry A, 2006, 110(50), 13388-13393.
 Web of Science® Times Cited: 56

Annika Lenz and Lars Ojamäe
  On the stability of dense versus cage-shaped water clusters: quantum-chemical investigations of zero-point energies, free energies, basis-set effects and IR spectra of (H2O)12 and (H2O)20
  Chemical Physics Letters, 2006, 418, 361-367.
 Web of Science® Times Cited: 25

Annika Lenz and Lars Ojamäe
  A theoretical study of water clusters: the relation between hydrogen-bond topology and interaction energy from quantum-chemical computations for clusters with up to 22 molecules
  Physical Chemistry, Chemical Physics - PCCP, 2005, 7, 1905-1911.
 Web of Science® Times Cited: 64

Ph.D. Theses

Annika Lenz
  Theoretical Investigations of Water Clusters, Ice Clathrates and Functionalized Nanoparticles
  2009.


  Fulltext PDF

* Social media data based on publications from 2011 to present and with a DOI; data delivered by Altmetric.com.