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Results: 1-25/117
MOLECULAR-STRUCTURE AND INFRARED-SPECTRA OF 2-HYDROXY-1,4-NAPHTHOQUINONE - EXPERIMENTAL MATRIX-ISOLATION AND THEORETICAL HARTREE-FOCK AND POST-HARTREE-FOCK STUDY
Authors: ROSTKOWSKA H NOWAK MJ LAPINSKI L ADAMOWICZ L
Citation: H. Rostkowska et al., MOLECULAR-STRUCTURE AND INFRARED-SPECTRA OF 2-HYDROXY-1,4-NAPHTHOQUINONE - EXPERIMENTAL MATRIX-ISOLATION AND THEORETICAL HARTREE-FOCK AND POST-HARTREE-FOCK STUDY, SPECT ACT A, 54(8), 1998, pp. 1091-1103
VIBRATIONAL SPECTROSCOPY OF HYDROXY-HETEROBIARYLS I - LOW-FREQUENCY MODES
Authors: BOROWICZ P FAURSKOVNIELSEN O CHRISTENSEN DH ADAMOWICZ L LES A WALUK J
Citation: P. Borowicz et al., VIBRATIONAL SPECTROSCOPY OF HYDROXY-HETEROBIARYLS I - LOW-FREQUENCY MODES, SPECT ACT A, 54(10), 1998, pp. 1291-1305
MATRIX-ISOLATION INFRARED AND THEORETICAL-STUDIES OF THE GLYCINE CONFORMERS
Authors: STEPANIAN SG REVA ID RADCHENKO ED ROSADO MTS DUARTE MLTS FAUSTO R ADAMOWICZ L
Citation: Sg. Stepanian et al., MATRIX-ISOLATION INFRARED AND THEORETICAL-STUDIES OF THE GLYCINE CONFORMERS, The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 102(6), 1998, pp. 1041-1054
MATRIX-ISOLATION FT-IR STUDIES AND AB-INITIO CALCULATIONS OF HYDROGEN-BONDED COMPLEXES OF MOLECULES MODELING CYTOSINE OR ISOCYTOSINE TAUTOMERS - 6 - EXPERIMENTAL-OBSERVATION OF A WATER-INDUCED TAUTOMERIC SHIFTFOR 2-HYDROXYPYRIMIDINE AND 5-BROMO-2-HYDROXYPYRIMIDINE
Authors: SMETS J DESTEXHE A ADAMOWICZ L MAES G
Citation: J. Smets et al., MATRIX-ISOLATION FT-IR STUDIES AND AB-INITIO CALCULATIONS OF HYDROGEN-BONDED COMPLEXES OF MOLECULES MODELING CYTOSINE OR ISOCYTOSINE TAUTOMERS - 6 - EXPERIMENTAL-OBSERVATION OF A WATER-INDUCED TAUTOMERIC SHIFTFOR 2-HYDROXYPYRIMIDINE AND 5-BROMO-2-HYDROXYPYRIMIDINE, The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 102(42), 1998, pp. 8157-8168
MATRIX-ISOLATION FT-IR STUDIES AND THEORETICAL CALCULATIONS OF HYDROGEN-BONDED COMPLEXES OF MOLECULES MODELING ADENINE TAUTOMERS - 1 - H-BONDING OF BENZIMIDAZOLES WITH H2O IN AR MATRICES
Authors: SCHOONE K SMETS J HOUBEN L VANBAEL MK ADAMOWICZ L MAES G
Citation: K. Schoone et al., MATRIX-ISOLATION FT-IR STUDIES AND THEORETICAL CALCULATIONS OF HYDROGEN-BONDED COMPLEXES OF MOLECULES MODELING ADENINE TAUTOMERS - 1 - H-BONDING OF BENZIMIDAZOLES WITH H2O IN AR MATRICES, The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 102(25), 1998, pp. 4863-4877
CONFORMATIONAL BEHAVIOR OF ALPHA-ALANINE - MATRIX-ISOLATION INFRARED AND THEORETICAL DFT AND AB-INITIO STUDY
Authors: STEPANIAN SG REVA ID RADCHENKO ED ADAMOWICZ L
Citation: Sg. Stepanian et al., CONFORMATIONAL BEHAVIOR OF ALPHA-ALANINE - MATRIX-ISOLATION INFRARED AND THEORETICAL DFT AND AB-INITIO STUDY, The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 102(24), 1998, pp. 4623-4629
POLARIZATION CONTROL OF LIGHT BY LIGHT IN A NONLINEAR POLYMER
Authors: PURA B PETYKIEWICZ J ADAMOWICZ L JEDA W WIERZBICKI M BRUDZEWSKI K
Citation: B. Pura et al., POLARIZATION CONTROL OF LIGHT BY LIGHT IN A NONLINEAR POLYMER, Applied physics. B, Lasers and optics, 67(2), 1998, pp. 211-215
MODELING OF REACTION STEPS RELEVANT TO DEOXYURIDYRLATE (DUMB) ENZYMATIC METHYLATION AND THYMIDYLATE SYNTHASE MECHANISM-BASED INHIBITION
Authors: LES A ADAMOWICZ L RODE W
Citation: A. Les et al., MODELING OF REACTION STEPS RELEVANT TO DEOXYURIDYRLATE (DUMB) ENZYMATIC METHYLATION AND THYMIDYLATE SYNTHASE MECHANISM-BASED INHIBITION, Journal of biomolecular structure & dynamics, 15(4), 1998, pp. 703-715
CRYSTAL-STRUCTURES OF 5-FLUORO-DURD AND ITS 2-THIO AND OR 4-THIO ANALOGS - MODELS OF SUBSTITUTED DUMP PYRIMIDINE RING INTERACTING WITH THYMIDYLATE SYNTHASE/
Authors: JARMULA A ANULEWICZ R LES A CYRANSKI MK ADAMOWICZ L BRETNER M FELCZAK K KULIKOWSKI T KRYGOWSKI TM RODE W
Citation: A. Jarmula et al., CRYSTAL-STRUCTURES OF 5-FLUORO-DURD AND ITS 2-THIO AND OR 4-THIO ANALOGS - MODELS OF SUBSTITUTED DUMP PYRIMIDINE RING INTERACTING WITH THYMIDYLATE SYNTHASE/, Biochimica et biophysica acta. Protein structure and molecular enzymology, 1382(2), 1998, pp. 277-286
AB-INITIO THEORETICAL-STUDY OF DIPOLE-BOUND ANIONS OF MOLECULAR-COMPLEXES - WATER MOLECULE INHIBITS OR ENHANCES ELECTRON-AFFINITY OF N-METHYLAMINOADENINE
Authors: SMETS J SMITH DMA ELKADI Y ADAMOWICZ L
Citation: J. Smets et al., AB-INITIO THEORETICAL-STUDY OF DIPOLE-BOUND ANIONS OF MOLECULAR-COMPLEXES - WATER MOLECULE INHIBITS OR ENHANCES ELECTRON-AFFINITY OF N-METHYLAMINOADENINE, Polish Journal of Chemistry, 72(7), 1998, pp. 1615-1623
GIAO-CHF AND EXPERIMENTAL-STUDY OF THE SUBSTITUENT EFFECTS ON C-13 MAGNETIC SHIELDING IN BENZENE-DERIVATIVES
Authors: JACKOWSKI K LES A DAMBSKA A ADAMOWICZ L
Citation: K. Jackowski et al., GIAO-CHF AND EXPERIMENTAL-STUDY OF THE SUBSTITUENT EFFECTS ON C-13 MAGNETIC SHIELDING IN BENZENE-DERIVATIVES, Polish Journal of Chemistry, 72(7), 1998, pp. 1624-1629
THE STATE-SELECTIVE COUPLED-CLUSTER METHOD FOR QUASI-DEGENERATE ELECTRONIC STATES
Authors: ADAMOWICZ L PIECUCH P GHOSE KB
Citation: L. Adamowicz et al., THE STATE-SELECTIVE COUPLED-CLUSTER METHOD FOR QUASI-DEGENERATE ELECTRONIC STATES, Molecular physics, 94(1), 1998, pp. 225-234
THEORETICAL DENSITY-FUNCTIONAL AND AB-INITIO COMPUTATIONAL STUDY OF THE TAUTOMERIC, VIBRATIONAL AND H-BOND PROPERTIES OF 1,7-DI-CH3-GUANINE- A COMPARISON WITH FT-IR DATA FROM MATRIX-ISOLATION EXPERIMENTS
Authors: SMETS J SCHOONE K RAMAEKERS R ADAMOWICZ L MAES G
Citation: J. Smets et al., THEORETICAL DENSITY-FUNCTIONAL AND AB-INITIO COMPUTATIONAL STUDY OF THE TAUTOMERIC, VIBRATIONAL AND H-BOND PROPERTIES OF 1,7-DI-CH3-GUANINE- A COMPARISON WITH FT-IR DATA FROM MATRIX-ISOLATION EXPERIMENTS, Journal of molecular structure, 442(1-3), 1998, pp. 201-220
AB-INITIO THEORETICAL STUDY OF DIPOLE-BOUND ANIONS OF MOLECULAR COMPLEXES - WATER TETRAMER ANIONS
Authors: SMITH DMA SMETS J ELKADI Y ADAMOWICZ L
Citation: Dma. Smith et al., AB-INITIO THEORETICAL STUDY OF DIPOLE-BOUND ANIONS OF MOLECULAR COMPLEXES - WATER TETRAMER ANIONS, The Journal of chemical physics, 109(4), 1998, pp. 1238-1244
OUT-OF-PLANE VIBRATIONS OF NH2 IN 2-AMINOPYRIMIDINE AND FORMAMIDE
Authors: MCCARTHY WJ LAPINSKI L NOWAK MJ ADAMOWICZ L
Citation: Wj. Mccarthy et al., OUT-OF-PLANE VIBRATIONS OF NH2 IN 2-AMINOPYRIMIDINE AND FORMAMIDE, The Journal of chemical physics, 108(24), 1998, pp. 10116-10128
THEORETICAL-STUDY OF THE O-H STRETCHING BAND IN 3-HYDROXY-2-METHYL-4-PYRONE
Authors: ALEXANDROV V SMITH DMA ROSTKOWSKA H NOWAK MJ ADAMOWICZ L MCCARTHY W
Citation: V. Alexandrov et al., THEORETICAL-STUDY OF THE O-H STRETCHING BAND IN 3-HYDROXY-2-METHYL-4-PYRONE, The Journal of chemical physics, 108(23), 1998, pp. 9685-9693
THEORETICAL AB-INITIO STUDY OF O-H VIBRATIONAL BAND IN GAS-PHASE GLYCINE CONFORMERS
Authors: ALEXANDROV V STEPANIAN S ADAMOWICZ L
Citation: V. Alexandrov et al., THEORETICAL AB-INITIO STUDY OF O-H VIBRATIONAL BAND IN GAS-PHASE GLYCINE CONFORMERS, Chemical physics letters, 291(1-2), 1998, pp. 110-120
AB-INITIO THEORETICAL-STUDY OF DIPOLE-BOUND ANIONS OF MOLECULAR-COMPLEXES - [H2O-CENTER-DOT-CENTER-DOT-CENTER-DOT-HCN](-) AND [HCN-CENTER-DOT-CENTER-DOT-CENTER-DOT-H2O](-) ANIONS
Authors: SMITH DMA SMETS J ELKADI Y ADAMOWICZ L
Citation: Dma. Smith et al., AB-INITIO THEORETICAL-STUDY OF DIPOLE-BOUND ANIONS OF MOLECULAR-COMPLEXES - [H2O-CENTER-DOT-CENTER-DOT-CENTER-DOT-HCN](-) AND [HCN-CENTER-DOT-CENTER-DOT-CENTER-DOT-H2O](-) ANIONS, Chemical physics letters, 288(5-6), 1998, pp. 609-615
AN AB-INITIO STUDY OF THE ISOMERIZATION OF MG-PYROPHOSPHATES AND CA-PYROPHOSPHATES
Authors: MCCARTHY WJ SMITH DMA ADAMOWICZ L SAINTMARTIN H ORTEGABLAKE I
Citation: Wj. Mccarthy et al., AN AB-INITIO STUDY OF THE ISOMERIZATION OF MG-PYROPHOSPHATES AND CA-PYROPHOSPHATES, Journal of the American Chemical Society, 120(24), 1998, pp. 6113-6120
MATRIX-ISOLATION FT-IR STUDIES AND AB-INITIO CALCULATIONS OF HYDROGEN-BONDED COMPLEXES OF MOLECULES MODELING CYTOSINE OR ISOCYTOSINE TAUTOMERS .4. H-BONDED COMPLEXES OF 1-METHYL-2-PYRIMIDONE AND N,N-1-TRIMETHYLCYTOSINE WITH WATER
Authors: SMETS J DESTEXHE A ADAMOWICZ L MAES G
Citation: J. Smets et al., MATRIX-ISOLATION FT-IR STUDIES AND AB-INITIO CALCULATIONS OF HYDROGEN-BONDED COMPLEXES OF MOLECULES MODELING CYTOSINE OR ISOCYTOSINE TAUTOMERS .4. H-BONDED COMPLEXES OF 1-METHYL-2-PYRIMIDONE AND N,N-1-TRIMETHYLCYTOSINE WITH WATER, JOURNAL OF PHYSICAL CHEMISTRY B, 101(33), 1997, pp. 6583-6599
MOLECULAR-STRUCTURE AND INFRARED-SPECTRA OF 3,4-DIHYDROXY-3-CYCLOBUTENE-1,2-DIONE - EXPERIMENTAL MATRIX-ISOLATION AND THEORETICAL HARTREE-FOCK AND POST-HARTREE-FOCK STUDY
Authors: ROSTKOWSKA H NOWAK MJ LAPINSKI L SMITH D ADAMOWICZ L
Citation: H. Rostkowska et al., MOLECULAR-STRUCTURE AND INFRARED-SPECTRA OF 3,4-DIHYDROXY-3-CYCLOBUTENE-1,2-DIONE - EXPERIMENTAL MATRIX-ISOLATION AND THEORETICAL HARTREE-FOCK AND POST-HARTREE-FOCK STUDY, SPECT ACT A, 53(7), 1997, pp. 959-968
SEARCH FOR STABLE ANIONS OF URACIL-WATER CLUSTERS - AB-INITIO THEORETICAL-STUDIES
Authors: SMETS J SMITH DMA ELKADI Y ADAMOWICZ L
Citation: J. Smets et al., SEARCH FOR STABLE ANIONS OF URACIL-WATER CLUSTERS - AB-INITIO THEORETICAL-STUDIES, The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 101(48), 1997, pp. 9152-9156
METHYLATION REDUCES ELECTRON-AFFINITY OF URACIL - AB-INITIO THEORETICAL-STUDY
Authors: SMITH DMA SMETS J ELKADI Y ADAMOWICZ L
Citation: Dma. Smith et al., METHYLATION REDUCES ELECTRON-AFFINITY OF URACIL - AB-INITIO THEORETICAL-STUDY, The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 101(43), 1997, pp. 8123-8127
H-BONDED AND STACKED DIMERS OF PYRIMIDINE AND P-BENZOQUINONE - A COMBINED MATRIX-ISOLATION INFRARED AND THEORETICAL AB-INITIO STUDY
Authors: MCCARTHY W PLOKHOTNICHENKO AM RADCHENKO ED SMETS J SMITH DMA STEPANIAN SG ADAMOWICZ L
Citation: W. Mccarthy et al., H-BONDED AND STACKED DIMERS OF PYRIMIDINE AND P-BENZOQUINONE - A COMBINED MATRIX-ISOLATION INFRARED AND THEORETICAL AB-INITIO STUDY, The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 101(39), 1997, pp. 7208-7216
MATRIX-ISOLATION FTIR STUDIES AND THEORETICAL CALCULATIONS OF HYDROGEN-BONDED COMPLEXES OF IMIDAZOLE - A COMPARISON BETWEEN EXPERIMENTAL RESULTS AND DIFFERENT CALCULATION METHODS
Authors: VANBAEL MK SMETS J SCHONE K HOUBEN L MCCARTHY W ADAMOWICZ L NOWAK MJ MAES G
Citation: Mk. Vanbael et al., MATRIX-ISOLATION FTIR STUDIES AND THEORETICAL CALCULATIONS OF HYDROGEN-BONDED COMPLEXES OF IMIDAZOLE - A COMPARISON BETWEEN EXPERIMENTAL RESULTS AND DIFFERENT CALCULATION METHODS, The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 101(13), 1997, pp. 2397-2413
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