Search results

  1. 1.
    0194312 - UOCHB-X 20010157 RIV US eng J - Journal Article
    Setnička, V. - Urbanová, M. - Bouř, Petr - Král, V. - Volka, K.
    Vibrational circular dichroism of 1,1'-binaphthyl derivatives: experimental and theoretical study.
    Journal of Physical Chemistry A. Roč. 105, - (2001), s. 8931-8938. ISSN 1089-5639. E-ISSN 1520-5215
    R&D Projects: GA ČR GA203/97/P002; GA ČR GA203/01/0031; GA AV ČR IAA4055104
    Institutional research plan: CEZ:AV0Z4055905
    Keywords : vibrational circular dichroism
    Subject RIV: CE - Biochemistry
    Impact factor: 2.630, year: 2001
    Permanent Link: http://hdl.handle.net/11104/0002770
     
     
  2. 2.
    0194311 - UOCHB-X 20010156 RIV US eng J - Journal Article
    Bouř, Petr - Kapitán, Josef - Baumruk, V.
    Simulation of the Raman optical activity of L-alanyl-L-alanine.
    Journal of Physical Chemistry A. Roč. 105, - (2001), s. 6362-6368. ISSN 1089-5639. E-ISSN 1520-5215
    R&D Projects: GA ČR GA203/97/P002; GA ČR GA203/01/0031
    Institutional research plan: CEZ:AV0Z4055905
    Keywords : Raman optical activity
    Subject RIV: CE - Biochemistry
    Impact factor: 2.630, year: 2001
    Permanent Link: http://hdl.handle.net/11104/0002769
     
     
  3. 3.
    0194310 - UOCHB-X 20010155 RIV US eng J - Journal Article
    Bouř, Petr
    Computations of the raman optical activity via the sum-over-states expansions.
    Journal of Computational Chemistry. Roč. 22, č. 4 (2001), s. 426-435. ISSN 0192-8651. E-ISSN 1096-987X
    R&D Projects: GA ČR GA203/97/P002
    Institutional research plan: CEZ:AV0Z4055905
    Keywords : Raman optical activity
    Subject RIV: CE - Biochemistry
    Impact factor: 2.766, year: 2001
    Permanent Link: http://hdl.handle.net/11104/0089992
     
     
  4. 4.
    0193906 - UOCHB-X 20000137 RIV US eng J - Journal Article
    Bouř, Petr - Záruba, K. - Urbanová, M. - Setnička, V. - Matějka, P. - Fiedler, Pavel - Král, V. - Volka, K.
    Vibrational circular dichroism of tetraphenylporphyrin in peptide complexes? A computational study.
    Chirality. Roč. 12, - (2000), s. 191-198. ISSN 0899-0042. E-ISSN 1520-636X
    R&D Projects: GA ČR GA203/97/P002
    Institutional research plan: CEZ:AV0Z4055905
    Subject RIV: CC - Organic Chemistry
    Impact factor: 1.603, year: 2000
    Permanent Link: http://hdl.handle.net/11104/0089598
     
     
  5. 5.
    0193797 - UOCHB-X 20000229 RIV CZ eng J - Journal Article
    Bouř, Petr - Král, V. M.
    Modelling of DNA complexes with distamycin analogues using an .I.ab initio./I. continuum solvent model.
    Collection of Czechoslovak Chemical Communications. Roč. 65, č. 5 (2000), s. 631-643. ISSN 0010-0765
    R&D Projects: GA ČR GA203/96/0740; GA ČR GA203/97/1099; GA ČR GA203/97/P002; GA MŠMT VS97135
    Institutional research plan: CEZ:AV0Z4055905
    Subject RIV: CC - Organic Chemistry
    Impact factor: 0.960, year: 2000
    Permanent Link: http://hdl.handle.net/11104/0089489
     
     
  6. 6.
    0193727 - UOCHB-X 20000079 RIV US eng J - Journal Article
    Bouř, Petr
    Comparison of Hartree-Fock and Kohn-Sam determinants as wave functions.
    Journal of Computational Chemistry. Roč. 21, č. 1 (2000), s. 8-16. ISSN 0192-8651. E-ISSN 1096-987X
    R&D Projects: GA ČR GA203/97/P002
    Institutional research plan: CEZ:AV0Z4055905
    Subject RIV: CE - Biochemistry
    Impact factor: 2.990, year: 2000
    Permanent Link: http://hdl.handle.net/11104/0089421
     
     
  7. 7.
    0193720 - UOCHB-X 20000072 RIV US eng J - Journal Article
    Silva, R. A. G. D. - Kubelka, J. - Bouř, Petr - Decatur, S. M. - Keiderling, T. A.
    Site-specific conformational determination in thermal unfolding studies of helical peptides using vibrational circular dichroism with isotopic substitution.
    Proceedings of the National Academy of Sciences of the United States of America. Roč. 97, č. 15 (2000), s. 8318-8323. ISSN 0027-8424. E-ISSN 1091-6490
    R&D Projects: GA ČR GA203/97/P002
    Grant - others:NIH(US) GM/OD55897; ACS(US) 35443-AC4
    Institutional research plan: CEZ:AV0Z4055905
    Subject RIV: CC - Organic Chemistry
    Impact factor: 10.789, year: 2000
    Permanent Link: http://hdl.handle.net/11104/0089414
     
     
  8. 8.
    0193719 - UOCHB-X 20000071 RIV US eng J - Journal Article
    Bouř, Petr - Kubelka, J. - Keiderling, T. A.
    Simulations of oligopeptide vibrational CD: effects of isotopic labeling.
    Biopolymers. Roč. 53, - (2000), s. 380-395. ISSN 0006-3525. E-ISSN 1097-0282
    R&D Projects: GA ČR GA203/97/P002
    Grant - others:NIH(US) GM30147
    Institutional research plan: CEZ:AV0Z4055905
    Subject RIV: CC - Organic Chemistry
    Impact factor: 2.405, year: 2000
    Permanent Link: http://hdl.handle.net/11104/0089413
     
     
  9. 9.
    0193383 - UOCHB-X 990082 RIV US eng J - Journal Article
    Bouř, Petr
    Simulation of electronic circular dichroism with rigid Kohn-Sham orbitals: A computational experiment.
    Journal of Physical Chemistry A. Roč. 103, č. 26 (1999), s. 5099-5104. ISSN 1089-5639. E-ISSN 1520-5215
    R&D Projects: GA ČR GA203/97/P002
    Institutional research plan: CEZ:AV0Z4055905
    Subject RIV: CF - Physical ; Theoretical Chemistry
    Impact factor: 2.695, year: 1999
    Permanent Link: http://hdl.handle.net/11104/0002750
     
     
  10. 10.
    0193311 - UOCHB-X 990007 RIV US eng J - Journal Article
    Bouř, Petr - Buděšínský, Miloš
    Sum-over-states calculation of the nuclear spin-spin coupling sonstants.
    Journal of Chemical Physics. Roč. 110, č. 6 (1999), s. 2836-2843. ISSN 0021-9606. E-ISSN 1089-7690
    R&D Projects: GA ČR GA203/97/P002
    Institutional research plan: CEZ:AV0Z4055905
    Subject RIV: CC - Organic Chemistry
    Impact factor: 3.289, year: 1999
    Permanent Link: http://hdl.handle.net/11104/0089014
     
     

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