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Results: 1-8 |
Results: 8
MATRIX-ISOLATION AND DFT QUANTUM-MECHANICAL STUDIES OF VIBRATIONAL-SPECTRA OF URACIL AND ITS METHYLATED DERIVATIVES
Authors: SZCZEPANIAK K PERSON WB LESZCZYNSKI J KWIATKOWSKI JS
Citation: K. Szczepaniak et al., MATRIX-ISOLATION AND DFT QUANTUM-MECHANICAL STUDIES OF VIBRATIONAL-SPECTRA OF URACIL AND ITS METHYLATED DERIVATIVES, Polish Journal of Chemistry, 72(2), 1998, pp. 402-420
RESOLVING DISCREPANCIES BETWEEN THEORY AND EXPERIMENT - IR-SPECTRUM OF THE PROTON-SHARED HBR-PYRIDINE COMPLEX
Authors: DELBENE JE SZCZEPANIAK K CHABRIER P PERSON WB
Citation: Je. Delbene et al., RESOLVING DISCREPANCIES BETWEEN THEORY AND EXPERIMENT - IR-SPECTRUM OF THE PROTON-SHARED HBR-PYRIDINE COMPLEX, The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 101(25), 1997, pp. 4481-4483
AB-INITIO THEORETICAL AND MATRIX-ISOLATION EXPERIMENTAL STUDIES OF HYDROGEN-BONDING-IV - THE HBR-PYRIDINE COMPLEX
Authors: SZCZEPANIAK K CHABRIER P PERSON WB DELBENE JE
Citation: K. Szczepaniak et al., AB-INITIO THEORETICAL AND MATRIX-ISOLATION EXPERIMENTAL STUDIES OF HYDROGEN-BONDING-IV - THE HBR-PYRIDINE COMPLEX, Journal of molecular structure, 437, 1997, pp. 367-386
INFRARED AND RAMAN-SPECTRA OF ALKYLATED GUANINE DERIVATIVES
Authors: KASENDE OE SZCZEPANIAK K PERSON WB ZEEGERSHUYSKENS T
Citation: Oe. Kasende et al., INFRARED AND RAMAN-SPECTRA OF ALKYLATED GUANINE DERIVATIVES, Journal of molecular structure, 435(1), 1997, pp. 17-33
AB-INITIO THEORETICAL AND MATRIX-ISOLATION EXPERIMENTAL STUDIES OF HYDROGEN-BONDING - EVIDENCE OF A DRAMATIC EFFECT OF THE MATRIX ON THE STRUCTURE AND VIBRATIONAL-SPECTRUM OF HBR-3,5-DICHLOROPYRIDINE
Authors: DELBENE JE SZCZEPANIAK K CHABRIER P PERSON WB
Citation: Je. Delbene et al., AB-INITIO THEORETICAL AND MATRIX-ISOLATION EXPERIMENTAL STUDIES OF HYDROGEN-BONDING - EVIDENCE OF A DRAMATIC EFFECT OF THE MATRIX ON THE STRUCTURE AND VIBRATIONAL-SPECTRUM OF HBR-3,5-DICHLOROPYRIDINE, Chemical physics letters, 264(1-2), 1997, pp. 109-112
AB-INITIO THEORETICAL AND MATRIX-ISOLATION EXPERIMENTAL STUDIES OF HYDROGEN-BONDING .2. A THEORETICAL-STUDY OF DISTANCES, FORCE-CONSTANTS, AND VIBRATIONAL FREQUENCIES IN COMPLEXES OF HYDROGEN HALIDES AND 4-SUBSTITUTED PYRIDINES
Authors: DELBENE JE PERSON WB SZCZEPANIAK K
Citation: Je. Delbene et al., AB-INITIO THEORETICAL AND MATRIX-ISOLATION EXPERIMENTAL STUDIES OF HYDROGEN-BONDING .2. A THEORETICAL-STUDY OF DISTANCES, FORCE-CONSTANTS, AND VIBRATIONAL FREQUENCIES IN COMPLEXES OF HYDROGEN HALIDES AND 4-SUBSTITUTED PYRIDINES, Molecular physics, 89(1), 1996, pp. 47-59
PROPERTIES OF HYDROGEN-BONDED COMPLEXES OBTAINED FROM THE B3LYP FUNCTIONAL WITH 6-31G(D,P) AND 6-31-SETS - COMPARISON WITH MP2(G(D,P) BASIS)6-31+G(D,P) RESULTS AND EXPERIMENTAL-DATA/
Authors: DELBENE JE PERSON WB SZCZEPANIAK K
Citation: Je. Delbene et al., PROPERTIES OF HYDROGEN-BONDED COMPLEXES OBTAINED FROM THE B3LYP FUNCTIONAL WITH 6-31G(D,P) AND 6-31-SETS - COMPARISON WITH MP2(G(D,P) BASIS)6-31+G(D,P) RESULTS AND EXPERIMENTAL-DATA/, Journal of physical chemistry, 99(27), 1995, pp. 10705-10707
AB-INITIO THEORETICAL AND MATRIX-ISOLATION EXPERIMENTAL STUDIES OF HYDROGEN-BONDING - VIBRATIONAL CONSEQUENCES OF PROTON POSITION IN 1 1 COMPLEXES OF HCL AND 4-X-PYRIDINES/
Authors: DELBENE JE PERSON WB SZCZEPANIAK K
Citation: Je. Delbene et al., AB-INITIO THEORETICAL AND MATRIX-ISOLATION EXPERIMENTAL STUDIES OF HYDROGEN-BONDING - VIBRATIONAL CONSEQUENCES OF PROTON POSITION IN 1 1 COMPLEXES OF HCL AND 4-X-PYRIDINES/, Chemical physics letters, 247(1-2), 1995, pp. 89-94
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