Peter Botschwina

Overview

Best Publications

• Ab initio calculation of near‐equilibrium potential and multipole moment surfaces and vibrational frequencies of H+3 and its isotopomers

  Wilfried Meyer;Peter Botschwina;Peter Burton

  436
  Citations

• Ab initio calculations on molecules of interest to interstellar cloud chemistry

  Peter Botschwina;Matthias Horn;Jörg Flügge;Sigrun Seeger

  174
  Citations

• Collisions of excited Na atoms with H2 molecules. I. Ab initio potential energy surfaces and qualitative discussion of the quenching process

  Peter Botschwina;Wilfried Meyer;Ingolf V. Hertel;W. Reiland

  164
  Citations

• Dissociation of NH3 to NH2+H

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

  150
  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 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

• Structure of the CCCN and CCCCH radicals: Isotopic substitution and ab initio theory

  M. C. McCarthy;C. A. Gottlieb;P. Thaddeus;M. Horn

  138
  Citations

• Infrared intensities of polyatomic molecules calculated from SCEP dipole-moment functions and anharmonic vibrational wavefunctions. I. Stretching vibrations of the linear molecules HCN, HCP and C2N2

  Peter Botschwina

  138
  Citations

• Vibrational frequencies from anharmonic ab initio/empirical potential energy functions. III. Stretching vibrations of hydrogen cyanide and acetylenes

  Peter Botschwina

  134
  Citations

• Threshold photoelectron spectroscopy of the methyl radical isotopomers, CH3, CH2D, CHD2 and CD3: synergy between VUV synchrotron radiation experiments and explicitly correlated coupled cluster calculations.

  Bárbara K. Cunha de Miranda;Christian Alcaraz;Mohamed Elhanine;Bastian Noller

  130
  Citations

• An ab initio calculation of the frequencies and IR intensities of the stretching vibrations of HN2

  Peter Botschwina

  125
  Citations

• Anharmonic potential-energy surfaces, vibrational frequencies and infrared intensities calculated from highly correlated wavefunctions

  Unknown

  120
  Citations

• Spectroscopic properties of the methyl radical calculated from UHF SCEP wavefunctions

  P. Botschwina;J. Flesch;W. Meyer

  110
  Citations

• Spectroscopic properties of interstellar molecules: Theory and experiment

  Peter Botschwina

  109
  Citations

• Vibrational frequencies from anharmonic ab initio/empirical potential energy functions. I. Method and application to H2O, HNO, HOF and HOCl

  Peter Botschwina

  108
  Citations

• PNO-CEPA calculation of collinear potential energy barriers for thermoneutral exchange reactions

  Peter Botschwina;Wilfried Meyer

  106
  Citations

• Ab initio vibration—rotation coupling constants and the equilibrium geometries of NCCN and CNCN

  Peter Botschwina;Jörg Flügge

  106
  Citations

• Structure of propadienylidene, H2CCC

  C. A. Gottlieb;T. C. Killian;P. Thaddeus;P. Botschwina

  105
  Citations

• Large‐scale ab initio calculations for C3

  M. Mladenović;S. Schmatz;P. Botschwina

  100
  Citations

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

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

  98
  Citations

• Equilibrium geometry of HC3N

  P. Botschwina;M. Horn;S. Seeger;J. Flügge

  98
  Citations