Volume 9 (1) 2003

CONTENTS

• SCIENTIFIC ACHIEVEMENTS OF PROFESSOR JACEK RYCHLEWSKI (1947-2003), (5-7)
  
  DOI: 10.12921/cmst.2003.09.01.05-07

• EXPLICITLY CORRELATED WAVE FUNCTIONS IN QUANTUM MONTE CARLO*, (11-22)
  Bressanini Dario, Morosi Gabriele, Tarasco Silvia
  DOI: 10.12921/cmst.2003.09.01.11-22

• NON-BORN-OPPENHEIMER CALCULATIONS OF H3*, (23-30)
  Cafiero Mauricio, Adamowicz Ludwik
  DOI: 10.12921/cmst.2003.09.01.23-30

• INCREASING THE STABILITY OF LINEAR r12-CALCULATIONS ON THE MULTI-REFERENCE LEVEL OF THEORY*, (31-43)
  Cardoen Wim, Gdanitz Robert J.
  DOI: 10.12921/cmst.2003.09.01.31-43

• HYDROXYCARBOXYLIC ACIDS IN CHIRAL RECOGNITION: MODELING THE AMINE – HYDROXYCARBOXYLIC ACID INTERACTIONS*, (45-65)
  Hoffmann Marcin, Rychlewska Urszula, Rychlewski Jacek
  DOI: 10.12921/cmst.2003.09.01.45-65

• TWO INTERACTING PARTICLES IN A PARABOLIC WELL: HARMONIUM AND RELATED SYSTEMS*, (67-78)
  Karwowski Jacek, Cyrnek Lech
  DOI: 10.12921/cmst.2003.09.01.67-78

• EXPONENTIALLY CORRELATED GAUSSIAN FUNCTIONS IN VARIATIONAL CALCULATIONS. THE EF 1E*g STATE OF HYDROGEN MOLECULE*, (79-92)
  Komasa Jacek, Cencek Wojciech
  DOI: 10.12921/cmst.2003.09.01.79-92

• Ab Initio SERVER PROTOTYPE FOR PREDICTION OF PHOSPHORYLATION SITES IN PROTEINS*, (93-100)
  Plewczynski Dariusz, Rychlewski Leszek
  DOI: 10.12921/cmst.2003.09.01.93-100

• VARIATIONAL CALCULATIONS ON THE 2P1/2 GROUND STATE OF BORON ATOM USING HYDROGENLIKE ORBITALS*, (101-112)
  Ruiz Maria Belén, Rojas Miguel
  DOI: 10.12921/cmst.2003.09.01.101-112

• EVALUATION OF RAIL TRAFFIC QUALITY IN POZNAŃ BY COMPUTER SIMULATION*, (113-126)
  Rychlewski Jeremi
  DOI: 10.12921/cmst.2003.09.01.113-126

• PARAMETRIZATION OF 2-AMINOPURINE AND PURINE IN CHARMM ALL-ATOM EMPIRICAL FORCE FIELD*, (127-135)
  Sarzyńska Joanna, Kulińska K., Kuliński Tadeusz
  DOI: 10.12921/cmst.2003.09.01.127-135

• EFFICIENCY OF MATRIX ELEMENTS COMPUTATIONS ON PARALLEL SYSTEMS*, (137-145)
  Trochała Mieczysław, Komasa Jacek
  DOI: 10.12921/cmst.2003.09.01.137-145

• THEORETICAL STUDIES OF 1H, 13C AND 15N NMR SPECTRA FOR MODEL STRUCTURES OF N-METHYLMORPHOLINIUM AND N-METHYLPIPERIDINIUM BETAINES*, (147-161)
  Wieczorek Daria, Dega-Szafran Zofia, Szafran Mirosław, Szymusiak Henryk, Zieliński Ryszard, Głembalska Renata
  DOI: 10.12921/cmst.2003.09.01.147-161

• CONNECTED TRIPLE EXCITATIONS IN THE EQUATION-OF-MOTION COUPLED CLUSTER CALCULATIONS OF THE ENERGIES AND PROPERTIES OF EXCITED STATES: HCN MOLECULE*, (163-172)
  Włoch Marta, Musiał Monika, Kucharski Stanisław A.
  DOI: 10.12921/cmst.2003.09.01.163-172