CMST main page    Volumes:    About CMST    For Authors    Search     



Computational Methods in Science and Technology
Volume 9(1-2)

Dedicated to the memory of Professor Jacek Rychlewski (1947-2003)

Download articles [PDF]:
SCIENTIFIC ACHIEVEMENTS OF PROFESSOR JACEK RYCHLEWSKI (1947-2003)
J. Komasa, J. Węglarz, K. W. Wojciechowski

TABLE OF CONTENTS

EXPLICITLY CORRELATED WAVE FUNCTIONS IN QUANTUM MONTE CARLO
D. Bressanini, G. Morosi, S. Tarasco

NON-BORN-OPPENHEIMER CALCULATIONS OF H3
M. Cafiero, L. Adamowicz

INCREASING THE STABILITY OF LINEAR r12-CALCULATIONS ON THE MULTI-REFERENCE LEVEL OF THEORY
W. Cardoen, R. J. Gdanitz

HYDROXYCARBOXYLIC ACIDS IN CHIRAL RECOGNITION: MODELING THE AMINE - HYDROXYCARBOXYLIC ACID INTERACTIONS
M. Hoffmann, U. Rychlewska, J. Rychlewski

TWO INTERACTING PARTICLES IN A PARABOLIC WELL: HARMONIUM AND RELATED SYSTEMS
J. Karwowski, L. Cyrnek

EXPOTENTIALLY CORRELATED GAUSSIAN FUNCTIONS IN VARIATIONAL CALCULATIONS. THE EF 1Sg+ STATE OF HYDROGEN MOLECULE
J. Komasa, W. Cencek

Ab Initio SERVER PROTOTYPE FOR PREDICTION OF PHOSPHORYLATION SITES IN PROTEINS
D. Plewczynski, L. Rychlewski

VARIATIONAL CALCULATIONS ON THE 2P1/2 GROUND STATE OF BORON ATOM USING HYDROGENLIKE ORBITALS
M. Belén Ruiz, M. Rojas

EVALUATION OF RAIL TRAFFIC QUALITY IN POZNAŃ BY COMPUTER SYMULATION
J. Rychlewski
and V. P. Privalko

PARAMETRIZATION OF 2-AMINOPURINY AND PURINE IN CHARMM ALL-ATOM EMPIRICAL FORCE FIELD
J. Szarzyńska, K. Kulińska, T. Kuliński

EFFICIENCY OF MATRIX ELEMENTS COMPUTATIONS ON PARALLEL SYSTEMS
M. Torchała, J. Komasa

THEORETICAL STUDIES OF 1H, 13C AND 15N NMR SPECTRA FOR MODEL STRUCTURES OF N-METHYLMORPHOLINIUM AND N-METHYLPIPERIDINIUM BETAINES
D. Wieczorek, Z. Dega-Szafran, M. Szafran, H. Szymusiak, R. Zieliński, R. Głembalska

CONNECTED TRIPLE EXCITATIONS IN THE EQUATION-OF-MOTION COUPLED CLUSTER CALCULATIONS OF THE ENERGIES AND PROPERTIES OF EXITED STATES: HCN MOLECULE
M. Włoch, M. Musiał, S. A. Kucharski

Editors   |   Editorial Board   |    Aims and Scope   |   Subscription   |    Notes for Authors
Manuscript Submission   |    Call for Papers
CMST Main Page