Search results
- 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 - 2.0194311 - 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 - 3.0194310 - 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 - 4.0193906 - 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 - 5.0193797 - 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 - 6.0193727 - 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 - 7.0193720 - 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 - 8.0193719 - 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 - 9.0193383 - 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 - 10.0193311 - 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