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Results: 1-25/1384
Authors:
CHAMPAGNE B
LEGRAND T
PERPETE EA
QUINET O
ANDRE JM
Citation: B. Champagne et al., AB-INITIO HARTREE-FOCK INVESTIGATION OF PI-CONJUGATED COMPOUNDS PRESENTING LARGE BETA(V) BETA(E) RATIO - MEROCYANINES/, Collection of Czechoslovak Chemical Communications, 63(9), 1998, pp. 1295-1308
Authors:
JUREK M
SPIRKO V
KRAEMER WP
Citation: M. Jurek et al., EXPECTATION VALUES OF QUASI-BOUND STATES - NUCLEAR-QUADRUPOLE COUPLING-CONSTANTS OF BH IN THE (X)OVER-TILDE(1)SIGMA(-TILDE(1)SIGMA(+) STATES() AND (B)OVER), Collection of Czechoslovak Chemical Communications, 63(9), 1998, pp. 1309-1320
Authors:
NACHTIGALLOVA D
SLAVICEK P
NACHTIGALL P
JUNGWIRTH P
Citation: D. Nachtigallova et al., WATER PHOTOLYSIS IN RARE-GAS ENVIRONMENT - THE CASPT2 EXCITED-STATE H2O((A)OVER-TILDE)-AR POTENTIAL, Collection of Czechoslovak Chemical Communications, 63(9), 1998, pp. 1321-1328
Authors:
POLAK R
Citation: R. Polak, THE DIATOMICS-IN-MOLECULES METHOD AS A MEANS FOR PREDICTING POTENTIAL-ENERGY-SURFACE TOPOLOLOGY - A CASE-STUDY FOR THE REACTION OF C-2( WITH O), Collection of Czechoslovak Chemical Communications, 63(9), 1998, pp. 1329-1342
Authors:
HOBZA P
HAVLAS Z
Citation: P. Hobza et Z. Havlas, COUNTERPOISE-CORRECTED POTENTIAL-ENERGY SURFACES OF SIMPLE HYDROGEN-BONDED SYSTEMS, Collection of Czechoslovak Chemical Communications, 63(9), 1998, pp. 1343-1354
Authors:
WITKO M
TOKARZ R
HERMANN K
Citation: M. Witko et al., SURFACE CLUSTER-MODELS FOR V2O5 - STUDIES OF THE IMPORTANCE OF LOCAL GEOMETRY, Collection of Czechoslovak Chemical Communications, 63(9), 1998, pp. 1355-1367
Authors:
PIELA L
Citation: L. Piela, SEARCH FOR THE MOST STABLE STRUCTURES ON POTENTIAL-ENERGY SURFACES, Collection of Czechoslovak Chemical Communications, 63(9), 1998, pp. 1368-1380
Authors:
LI XZ
PALDUS J
Citation: Xz. Li et J. Paldus, SINGLET-TRIPLET SPLITTING IN METHYLENE - AN ACCURATE DESCRIPTION OF DYNAMIC AND NONDYNAMIC CORRELATION BY REDUCED MULTIREFERENCE COUPLED-CLUSTER METHOD, Collection of Czechoslovak Chemical Communications, 63(9), 1998, pp. 1381-1393
Authors:
SAUER J
SCHRODER KP
TERMATH V
Citation: J. Sauer et al., COMPARING THE ACIDITIES OF MICROPOROUS ALUMINOSILICATE AND SILICO-ALUMINOPHOSPHATE CATALYSTS - A COMBINED QUANTUM MECHANICS-INTERATOMIC POTENTIAL FUNCTION STUDY, Collection of Czechoslovak Chemical Communications, 63(9), 1998, pp. 1394-1408
Authors:
URBAN M
NEOGRADY P
RAAB J
DIERCKSEN GHF
Citation: M. Urban et al., ACCURACY ASSESSMENT OF THE ROHF-CCSD(T) CALCULATIONS OF DIPOLE-MOMENTS OF SMALL RADICALS, Collection of Czechoslovak Chemical Communications, 63(9), 1998, pp. 1409-1430
Authors:
BONACICKOUTECKY V
REICHARDT D
PITTNER J
FANTUCCI P
KOUTECKY J
Citation: V. Bonacickoutecky et al., AB-INITIO MOLECULAR-DYNAMICS FOR DETERMINATION OF STRUCTURES OF ALKALI-METAL CLUSTERS AND THEIR TEMPERATURES BEHAVIOR - AN EXAMPLE OF LI-9(+), Collection of Czechoslovak Chemical Communications, 63(9), 1998, pp. 1431-1446
Authors:
VULLIERMET N
WESOLOWSKI TA
WEBER J
Citation: N. Vulliermet et al., THEORETICAL-STUDY OF THE PHYSISORPTION OF CO ON METAL-OXIDE SURFACES USING THE KSCED-DFT APPROACH, Collection of Czechoslovak Chemical Communications, 63(9), 1998, pp. 1447-1459
Authors:
FIDLER V
KAPUSTA P
NEPRAS M
SCHROEDER J
RUBTSOV IV
YOSHIHARA K
Citation: V. Fidler et al., ULTRAFAST ELECTRONIC-ENERGY FLOW IN A BICHROMOPHORIC MOLECULE, Collection of Czechoslovak Chemical Communications, 63(9), 1998, pp. 1460-1472
Authors:
CHALASINSKI G
KLOS J
CYBULSKI SM
SZCZESNIAK MM
Citation: G. Chalasinski et al., FROM INTERMOLECULAR INTERACTIONS TO INCIPIENT CHEMICAL-BOND, Collection of Czechoslovak Chemical Communications, 63(9), 1998, pp. 1473-1484
Authors:
HAVLAS Z
MICHL J
Citation: Z. Havlas et J. Michl, SPIN-ORBIT-COUPLING IN BIRADICALS - 3 - HEAVY-ATOM EFFECTS IN CARBENES, Collection of Czechoslovak Chemical Communications, 63(9), 1998, pp. 1485-1497
Authors:
MAZUREK U
SCHRODER D
SCHWARZ H
Citation: U. Mazurek et al., GENERATION AND REACTIVITY OF CHROMIUM FLUORIDE CATIONS (CRFN-4) IN THE GAS-PHASE(, N=0), Collection of Czechoslovak Chemical Communications, 63(9), 1998, pp. 1498-1512
Citation: PROFESSOR ZAHRADNIK,RUDOLF - 70TH BIRTHDAY, Collection of Czechoslovak Chemical Communications, 63(8), 1998, pp. 1
Authors:
FRIEDRICH B
GUPTA M
HERSCHBACH D
Citation: B. Friedrich et al., PROBING WEAKLY-BOUND SPECIES WITH NONRESONANT LIGHT - DISSOCIATION OFHE-2 INDUCED BY ROTATIONAL HYBRIDIZATION, Collection of Czechoslovak Chemical Communications, 63(8), 1998, pp. 1089-1093
Authors:
RADZISZEWSKI JG
KASZYNSKI P
FRIEDERICHSEN A
ABILDGAARD J
Citation: Jg. Radziszewski et al., BENT CYCLOPENTA-2,4-DIENYLIDENEKETENE - SPECTROSCOPIC AND AB-INITIO STUDY OF REACTIVE INTERMEDIATE, Collection of Czechoslovak Chemical Communications, 63(8), 1998, pp. 1094-1106
Authors:
VANHUIS TJ
LEININGER ML
SHERRILL CD
SCHAEFER HF
Citation: Tj. Vanhuis et al., FULL CONFIGURATION-INTERACTION ENERGIES, GEOMETRIES, AND QUARTIC FORCE-FIELDS OF THE NITRENIUM ION, Collection of Czechoslovak Chemical Communications, 63(8), 1998, pp. 1107-1142
Authors:
SELZLE HL
SCHLAG EW
REMACLE F
LEVINE RD
Citation: Hl. Selzle et al., 2 CLASSES OF ZEKE SPECTROSCOPY, Collection of Czechoslovak Chemical Communications, 63(8), 1998, pp. 1143-1151
Authors:
ZABKA J
DOLEJSEK Z
KOYANO I
HERMAN Z
Citation: J. Zabka et al., DYNAMICS OF PROTONATED ACETONITRILE FORMATION IN CD3CN-DOT+CH3CN COLLISIONS - A CROSSED-BEAM SCATTERING STUDY(CENTER), Collection of Czechoslovak Chemical Communications, 63(8), 1998, pp. 1152-1160
Authors:
DVORAK J
SKALA L
Citation: J. Dvorak et L. Skala, ANALYTICAL SOLUTIONS OF THE SCHRODINGER-EQUATION - GROUND-STATE ENERGIES AND WAVE-FUNCTIONS, Collection of Czechoslovak Chemical Communications, 63(8), 1998, pp. 1161-1176
Authors:
STEINEBRUNNER G
DYSON AJ
KIRCHNER B
HUBER H
Citation: G. Steinebrunner et al., AB-INITIO CALCULATION OF TRANSPORT-PROPERTIES OF SUPERCRITICAL CARBON-DIOXIDE, Collection of Czechoslovak Chemical Communications, 63(8), 1998, pp. 1177-1186
Authors:
ZAMASTIL J
SKALA L
PANCOSKA P
BILEK O
Citation: J. Zamastil et al., NEW APPROACH TO THE THEORY OF CIRCULAR-DICHROISM, Collection of Czechoslovak Chemical Communications, 63(8), 1998, pp. 1187-1201