Chemical Physics. 1997, V 225, N 1-3, Dec 15.

  EXCITED STATES OF COMPLEX MOLECULES - PREFACE. [Editorial]
  Buenker RJ.                                                  pp R 7-R 8
   
  STABILITY, PROPERTIES AND ELECTRONIC G-TENSORS OF H2CO- AS STABILIZED IN
  H2CO-CENTER-DOT-NA COMPLEXES. 
  Bruna PJ; Lushington GH; Grein F.                            pp 1-15
   
  FIRST OBSERVATION OF RE-VIBRATIONAL TRANSITIONS OF THE SIC RADICAL BY
  INFRARED LMR SPECTROSCOPY. 
  Wienkoop M; Murtz P; Schumann PC; Havenith M; Urban W.       pp 17-21
   
  AN AB INITIO STUDY ON THE FOUR ELECTRONICALLY LOWEST-LYING STATES OF CH2
  USING THE STATE-AVERAGED COMPLETE ACTIVE SPACE SECOND-ORDER CONFIGURATION
  INTERACTION METHOD. 
  Yamaguchi Y; Schaefer HF.                                    pp 23-31
   
  A THEORETICAL CALCULATION OF THE ABSORPTION SPECTRUM OF CH2+. 
  Osmann G; Bunker PR; Jensen P; Kraemer WP.                   pp 33-54
   
  AB INITIO STUDY OF NO2 - VII - (A)OVER-TILDE(2)B(2)[-(X)OVER-TILDE(2)A(1)
  NONADIABATIC FRANCK-CONDON ABSORPTION SPECTRUM. 
  Brandi R; Santoro F; Petrongolo C.                           pp 55-62
   
  AB INITIO TREATMENT OF THE RENNER-TELLER EFFECT IN TETRA-ATOMIC MOLECULES
  UNDERGOING LARGE AMPLITUDE BENDING VIBRATIONS. 
  Peric M; Ostojic B; Schafer B; Engels B.                     pp 63-76
   
  THE (R)Q(1) BRANCH OF CARBODIIMIDE, HNCNH, AT 1.1 THZ. 
  Jabs W; Winnewisser M; Belov SP; Klaus T; Winnewisser G.     pp 77-91
   
  MULTIPLE SURFACE INTERSECTIONS AND STRONG NONADIABATIC COUPLING EFFECTS
  BETWEEN THE (D)OVER-TILDE(2)E(1U) AND (E)OVER-TILDE(2)B(2U) STATES OF
  C6H6+. 
  Doscher M; Koppel H.                                         pp 93-105
   
  EXCITED VIBRATIONAL STATES OF BENZENE - HIGH RESOLUTION FTIR SPECTRA AND
  ANALYSIS OF SOME OUT-OF-PLANE VIBRATIONAL FUNDAMENTALS OF C6H5D.
  Snels M; Beil A; Hollenstein H; Quack M.                     pp 107-130
   
  COUPLED CLUSTER CALCULATIONS FOR THREE LOW-LYING DOUBLET STATES OF LINEAR
  C-10(-). 
  Botschwina P; Schmatz S.                                     pp 131-138
   
  THE LOWEST VALENCE TRANSITIONS OF 1,1'-BICYCLOHEXYLIDENE AND
  1,1'4',1'-TERCYCLOHEXYLIDENE - AN AB INITIO MRDCI STUDY. 
  Havenith RWA; Vanlenthe JH; Jenneskens LW; Hoogesteger FJ.   pp 139-152
   
  SINGLET AND TRIPLET EXCITED STATES OF A PYRAMIDALIZED ALKENE -
  ELECTRON-ENERGY-LOSS SPECTRA, PHOTOELECTRON SPECTRA, AND CALCULATIONS OF
  THE EXCITED STATES OF TRICYCLO[3.3.3.0(3,7)]UNDEC-3(7)-ENE. 
  Bulliard C; Allan M; Smith JM; Hrovat DA; Borden WT; Grimme S.
                                                               pp 153-161
   
  GEOMETRIES AND INTERCONVERSION PATHWAYS OF FREE AND PROTONATED BETA-IONONE
  SCHIFF BASES - AN AB INITIO STUDY OF PHOTORECEPTOR CHROMOPHORE MODEL
  COMPOUNDS. 
  Terstegen F; Buss V.                                         pp 163-171
   
  AB-INITIO STUDY OF OPTICAL RESPONSE PROPERTIES OF NONSTOICHIOMETRIC
  LITHIUM-HYDRIDE AND SODIUM-FLUORIDE CLUSTERS. 
  Bonacickoutecky V; Pittner J.                                pp 173-187
   
  PHOTODISSOCIATION OF METHANE ON PLATINUM. 
  Whitten JL.                                                  pp 189-195
   
  NEW ALGORITHMS FOR AN INDIVIDUALLY SELECTING MR-CI PROGRAM. 
  Hanrath M; Engels B.                                         pp 197-202
   
  RELATIVISTIC ONE-ELECTRON HAMILTONIANS FOR ELECTRONS ONLY AND THE
  VARIATIONAL TREATMENT OF THE DIRAC EQUATION. 
  Kutzelnigg W.                                                pp 203-222
   
  AN EXTRAPOLATION SCHEME FOR SPIN-ORBIT CONFIGURATION INTERACTION ENERGIES
  APPLIED TO THE GROUND AND EXCITED ELECTRONIC STATES OF THALLIUM HYDRIDE.
  Rakowitz F; Marian CM.                                       pp 223-238
   
  THE USE OF GAUSSIAN SPINORS IN RELATIVISTIC ELECTRONIC STRUCTURE
  CALCULATIONS - THE EFFECT OF THE BOUNDARY OF THE FINITE NUCLEUS OF UNIFORM
  PROTON CHARGE DISTRIBUTION. 
  Ishikawa Y; Koc K; Schwarz WHE.                              pp 239-246
   
  RELATIVISTIC CONFIGURATION INTERACTION CALCULATIONS OF THE POTENTIAL
  CURVES AND RADIATIVE LIFETIMES OF THE LOW-LYING STATES OF BISMUTH NITRIDE.
  Alekseyev AB; Liebermann HP; Hirsch G; Buenker RJ.           pp 247-258
   
  RESONANCES IN THE PHOTODISSOCIATION OF CO2 - PERIODIC-ORBIT AND WAVEPACKET
  ANALYSES. 
  Burghardt I; Gaspard P.                                      pp 259-298
   
  ULTRAFAST EXCITATION PROCESS IN NANH3 - A COMBINED THEORETICAL AND
  EXPERIMENTAL ANALYSIS. 
  Devivieriedle R; Schulz S; Hohndorf J; Schulz CP.            pp 299-308
   
  CALCULATION OF TOTAL PHOTOABSORPTION CROSS SECTIONS OF AR, KR, N-2 AND CO.
  Stein N; Hattig C; Hess BA.                                  pp 309-317