Pavel Rosmus

Overview

Best Publications

• PNO–CI and CEPA studies of electron correlation effects. III. Spectroscopic constants and dipole moment functions for the ground states of the first‐row and second‐row diatomic hydrides

  W. Meyer;P. Rosmus

  707
  Citations

• Molecular properties from MCSCF‐SCEP wave functions. I. Accurate dipole moment functions of OH, OH−, and OH+

  Hans‐Joachim Werner;Pavel Rosmus;Ernst‐Albrecht Reinsch

  268
  Citations

• Theoretical dipole moment functions of the HF, HCl, and HBr molecules

  Hans‐Joachim Werner;Pavel Rosmus

  197
  Citations

• Theoretical transition probabilities for the OH Meinel system

  Stephen R. Langhoff;H-J. Werner;P. Rosmus

  193
  Citations

• A variational method for the calculation of spin-rovibronic levels of Renner-Teller triatomic molecules

  Stuart Carter;Nicholas C. Handy;Pavel Rosmus;Gilberte Chambaud

  186
  Citations

• PNO‐CI and CEPA studies of electron correlation effects. VI. Electron affinities of the first‐row and second‐row diatomic hydrides and the spectroscopic constants of their negative ions

  Pavel Rosmus;Wilfried Meyer

  174
  Citations

• The unimolecular dissociation of HCO. II. Comparison of calculated resonance energies and widths with high‐resolution spectroscopic data

  Hans‐Martin Keller;Heiner Floethmann;Abigail J. Dobbyn;Reinhard Schinke

  169
  Citations

• Dissociation of NH3 to NH2+H

  M. I. McCarthy;P. Rosmus;H.‐J. Werner;P. Botschwina

  150
  Citations

• PNO–CI and CEPA studies of electron correlation effects. IV. Ionization energies of the first and second row diatomic hydrides and the spectroscopic constants of their ions

  Unknown

  146
  Citations

• Theoretical A 1A‘2–X 1A1 absorption and emission spectrum of ammonia

  P. Rosmus;P. Botschwina;H.‐J. Werner;V. Vaida

  142
  Citations

• THE UNIMOLECULAR DISSOCIATION OF HCO. I: OSCILLATIONS OF PURE CO STRETCHING RESONANCE WIDTHS

  Hans‐Joachim Werner;Cornelia Bauer;Pavel Rosmus;Hans‐Martin Keller

  142
  Citations

• The ultraviolet absorption spectrum of the à 1A‘2←X̃ 1A1 transition of jet‐cooled ammonia

  V. Vaida;M. I. McCarthy;P. C. Engelking;P. Rosmus

  139
  Citations

• Molecular constants for the 1Σ+ ground state of the ArH+ ion

  Pavel Rosmus

  117
  Citations

• Unstable intermediates. 4. Thioformaldehyde

  B. Solouki;P. Rosmus;H. Bock

  115
  Citations

• Short‐Path Pyrolsis: Silabenzene

  Bahamn Solouki;Pavel Rosmus;Hans Bock;Günther Maier

  113
  Citations

• Theoretical spin–rovibronic 2A1(Πu)–2B1 spectrum of the H2O+, HDO+, and D2O+ cations

  Matthias Brommer;Bernhard Weis;Bernd Follmeg;Pavel Rosmus

  113
  Citations

• A study of the mode-selective trans--cis isomerization in HONO using ab initio methodology.

  Falk Richter;Majdi Hochlaf;Pavel Rosmus;Fabien Gatti

  113
  Citations

• Ab initio calculations of radiative transition probabilities in SH, SH+, and SH−

  Jörg Senekowitsch;Hans‐Joachim Werner;Pavel Rosmus;Ernst‐Albrecht Reinsch

  104
  Citations

• Ab initio investigation of the bound rovibrational states in the electronic ground state of HeN+2

  Steven Miller;Jonathan Tennyson;Bernd Follmeg;Pavel Rosmus

  104
  Citations

• Spectroscopic properties of the hydroxonium ion calculated from scep cepa wavefunctions

  P. Botschwina;P. Rosmus;E.-A. Reinsch

  98
  Citations

• Calculations of rovibrational energies and dipole transition intensities for polyatomic molecules using MULTIMODE

  Stuart Carter;Amit R. Sharma;Joel M. Bowman;Pavel Rosmus

  98
  Citations

• A theoretical rotationally resolved infrared spectrum for H2O+ (X 2B1)

  B. Weis;S. Carter;P. Rosmus;H.‐J. Werner

  97
  Citations