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Results:
1-13
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Results: 13
Authors:
Setnicka, V
Urbanova, M
Bour, P
Kral, V
Volka, K
Citation: V. Setnicka et al., Vibrational circular dichroism of 1,1 '-binaphthyl derivatives: Experimental and theoretical study, J PHYS CH A, 105(39), 2001, pp. 8931-8938
Authors:
Bour, P
Kapitan, J
Baumruk, V
Citation: P. Bour et al., Simulation of the Raman optical activity of L-alanyl-L-alanine, J PHYS CH A, 105(26), 2001, pp. 6362-6368
Authors:
Bour, P
Citation: P. Bour, Computations of the Raman Optical Activity via the sum-over-states expansions, J COMPUT CH, 22(4), 2001, pp. 426-435
Authors:
Bour, P
Citation: P. Bour, Configuration interaction with Kohn-Sham orbitals and their relation to excited electronic states, CHEM P LETT, 345(3-4), 2001, pp. 331-337
Authors:
Zaruba, K
Tomankova, Z
Sykora, D
Charvatova, J
Kavenova, I
Bour, P
Matejka, P
Fahnrich, J
Volka, K
Kral, V
Citation: K. Zaruba et al., Interaction of porphyrin and sapphyrin macrocycles with nucleobases and nucleosides - Spectroscopic, quantum chemical and chromatographic investigation, ANALYT CHIM, 437(1), 2001, pp. 39-53
Authors:
Bour, P
Zaruba, K
Urbanova, M
Setnicka, V
Matejka, P
Fiedler, Z
Kral, V
Volka, K
Citation: P. Bour et al., Vibrational circular dichroism of tetraphenylporphyrin in peptide complexes? A computational study, CHIRALITY, 12(4), 2000, pp. 191-198
Authors:
Bour, P
Citation: P. Bour, Comparison of Hartree-Fock and Kohn-Sham determinants as wave functions, J COMPUT CH, 21(1), 2000, pp. 8-16
Authors:
Silva, RAGD
Kubelka, J
Bour, P
Decatur, SM
Keiderling, TA
Citation: Ragd. Silva et al., Site-specific conformational determination in thermal unfolding studies ofhelical peptides using vibrational circular dichroism with isotopic substitution, P NAS US, 97(15), 2000, pp. 8318-8323
Authors:
Bour, P
Kral, V
Citation: P. Bour et V. Kral, Modelling of DNA complexes with distamycin analogues using an ab initio continuum solvent model, COLL CZECH, 65(5), 2000, pp. 631-643
Authors:
Bour, P
Kubelka, J
Keiderling, TA
Citation: P. Bour et al., Simulations of oligopeptide vibrational CD: Effects of isotopic labeling, BIOPOLYMERS, 53(5), 2000, pp. 380-395
Simulation of electronic circular dichroism with rigid Kohn-Sham orbitals:A computational experiment
Authors:
Bour, P
Citation: P. Bour, Simulation of electronic circular dichroism with rigid Kohn-Sham orbitals:A computational experiment, J PHYS CH A, 103(26), 1999, pp. 5099-5104
Authors:
Bour, P
Budesinsky, M
Citation: P. Bour et M. Budesinsky, Sum-over-states calculation of the nuclear spin-spin coupling constants, J CHEM PHYS, 110(6), 1999, pp. 2836-2843
Authors:
Rauk, A
McCann, JL
Wieser, H
Bour, P
Vystorop, IV
El'natanov, YI
Kostyanovsky, RG
Citation: A. Rauk et al., Skeletal vibrational circular dichroism of a series of bicyclic dilactones: the fingerprint region? (vol 76, pg 717, 1998), CAN J CHEM, 76(12), 1998, pp. 1931-1931
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