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An experimental and computational investigation of the structure and vibrations of dimethylethylenediamine, a model for poly(ethylenimine)

JOURNAL ARTICLE published 2001 in PhysChemComm

Authors: Scott E. Boesch | Shawna S. York | Roger Frech | Ralph A. Wheeler

Resonances in bimolecular reactions

JOURNAL ARTICLE published 2002 in PhysChemComm

Authors: Kopin Liu | Rex T. Skodje | David E. Manolopoulos

On the dimers of the VIB group: a new NIR electronic state of Mo2

JOURNAL ARTICLE published 2001 in PhysChemComm

Authors: D. Kraus | M. Lorenz | V. E. Bondybey

Quantum computing and nuclear magnetic resonance

JOURNAL ARTICLE published 2001 in PhysChemComm

Authors: Jonathan A. Jones

Theoretical studies on hyperpolarizabilities and UV-vis-IR spectra of a diamminecobalt(iii) tetripeptide transition-metal complex

JOURNAL ARTICLE published 2003 in PhysChemComm

Authors: Chensheng Lin | Kechen Wu | Mingxin Zhang | Chaoyong Mang

Observation of a laser-induced transmittance modification in Ni2+ doped CsCdCl3

JOURNAL ARTICLE published 1999 in PhysChemComm

Authors: Ueli Oetliker | Christian Reber

Application of generalized two-dimensional correlation theory to gel permeation chromatographic analysis

JOURNAL ARTICLE published 2001 in PhysChemComm

Authors: Kenichi Izawa | Toshiaki Ogasawara | Hideki Masuda | Hirofumi Okabayashi | Isao Noda

Pressure-induced amorphization of hydrated Na-X zeolite

JOURNAL ARTICLE published 2001 in PhysChemComm

Authors: Hongjian Liu | Richard A. Secco | Yining Huang

Sedimentation equilibria of colloidal hard rod dispersions

JOURNAL ARTICLE published 1999 in PhysChemComm

Authors: Rosalind Allen | David Goulding | Jean-Pierre Hansen

Mixed quantum classical steps: a DVR hopping method

JOURNAL ARTICLE published 2000 in PhysChemComm

Authors: Adolfo Bastida | José Zúniga | Alberto Requena | Nadine Halberstadt | J. Alberto Beswick

Guanine tetrads interacting with metal ions. An AIM topological analysis of the electronic densityElectronic Supplementary Information (ESI) available: Geometric data, topologic data at the BCP and integrated properties of the hydrogen atom of every H1⋯O6 and H2⋯N7 hydrogen bond. See http://www.rsc.org/suppdata/qu/b2/b210911e/

JOURNAL ARTICLE published 17 January 2003 in PhysChemComm

Authors: Guillaume Louit | Alexandre Hocquet | Mahmoud Ghomi | Michael Meyer | Jürgen Sühnel

Rotational excitation from a molecular mirror: NO scattering from Ru(0001)-(1 × 1)H

JOURNAL ARTICLE published 2001 in PhysChemComm

Authors: Bart Berenbak | Bernd Riedmüller | Charles T. Rettner | Daniel J. Auerbach | Steven Stolte | Aart W. Kleyn

Molecular conformation in the gas phase and in solution

JOURNAL ARTICLE published 2002 in PhysChemComm

Authors: P. Butz | G. E. Tranter | J. P. Simons

Theoretical study of [4 + 2] cycloadditions of some 6- and 5-member ring aromatic compounds on the Si(001)-2 × 1 surface: correlation between binding energy and resonance energy

JOURNAL ARTICLE published 2001 in PhysChemComm

Authors: Xin Lu | M. C. Lin | Xin Xu | Nanqin Wang | Qianer Zhang

The preparation and characterization of ZnO–PANI (polyaniline) composite film on PATP (ρ-aminothiophenol)/Au

JOURNAL ARTICLE published 2001 in PhysChemComm

Authors: Z. X. Zheng | Y. Y. Xi | H. G. Huang | L. L. Wu | Z. H. Lin

Environmentally benign decomposition of potassium nitrate on zeolites

JOURNAL ARTICLE published 1999 in PhysChemComm

Authors: Bin Shen | Yuan Chun | Jian Hua Zhu | Ying Wang | Zhen Wu | Jia Rong Xia | Qin Hua Xu

Quantum dynamical characterization of unimolecular resonances

JOURNAL ARTICLE published 3 March 2003 in PhysChemComm

Authors: Hong Zhang | Sean C. Smith

Laser-induced breakdown spectroscopy at metal–water interfaces

JOURNAL ARTICLE published 2002 in PhysChemComm

Authors: Honoh Suzuki | Hisanobu Nishikawa | I-Yin Sandy Lee

Applicability of thermoacoustical parameters for the computation of available volume in liquid systems

JOURNAL ARTICLE published 2002 in PhysChemComm

Authors: J. D. Pandey | Ranjan Dey | Bishan Datt Bhatt

Thermoacoustical approach to the intermolecular free-length of liquid mixtures

JOURNAL ARTICLE published 2003 in PhysChemComm

Authors: J. D. Pandey | Ranjan Dey | J. Chhabra