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Results:
1-14
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Results: 14
Authors:
Steckel, JA
Phung, T
Jordan, KD
Nachtigall, P
Citation: Ja. Steckel et al., Concerted use of slab and cluster models in an ab initio study of hydrogendesorption from the Si(100) surface, J PHYS CH B, 105(18), 2001, pp. 4031-4038
Authors:
Nachtigall, P
Davidova, M
Nachtigallova, D
Citation: P. Nachtigall et al., Computational study of extraframework Cu+ sites in ferrierite: Structure, coordination, and photoluminescence spectra, J PHYS CH B, 105(17), 2001, pp. 3510-3517
Authors:
Nachtigallova, D
Nachtigall, P
Sauer, J
Citation: D. Nachtigallova et al., Coordination of Cu+ and Cu2+ ions in ZSM-5 in the vicinity of two framework Al atoms, PHYS CHEM P, 3(8), 2001, pp. 1552-1559
Authors:
Silhan, M
Nachtigallova, D
Nachtigall, P
Citation: M. Silhan et al., Characterization of Ag+ sites in ZSM-5: A combined quantum mechanics/interatomic potential function study, PHYS CHEM P, 3(21), 2001, pp. 4791-4795
Authors:
Jurecka, P
Nachtigall, P
Hobza, P
Citation: P. Jurecka et al., RI-MP2 calculations with extended basis sets - a promising tool for study of H-bonded and stacked DNA base pairs, PHYS CHEM P, 3(20), 2001, pp. 4578-4582
Authors:
Pittner, J
Nachtigall, P
Carsky, P
Hubac, I
Citation: J. Pittner et al., State-specific Brillouin-Wigner multireference coupled cluster study of the singlet-triplet separation in the tetramethyleneethane diradical, J PHYS CH A, 105(8), 2001, pp. 1354-1356
Authors:
Zdanska, P
Nachtigallova, D
Nachtigall, P
Jungwirth, P
Citation: P. Zdanska et al., Nonadiabatic interactions between the ground and low-lying excited electronic states: Vibronic states of the Cl-HCl complex, J CHEM PHYS, 115(13), 2001, pp. 5974-5983
Authors:
Nachtigall, P
Nachtigallova, D
Sauer, J
Citation: P. Nachtigall et al., Coordination change of Cu+ sites in ZSM-5 on excitation in the triplet state: Understanding of the photoluminescence spectra, J PHYS CH B, 104(8), 2000, pp. 1738-1745
Authors:
Xie, DQ
Guo, H
Bludsky, O
Nachtigall, P
Citation: Dq. Xie et al., Absorption and resonance emission spectra of SO2((X)over-tilde(1)A(1)/(C)over-tilde(1)B(2)) calculated from ab initio potential energy and transitiondipole moment surfaces, CHEM P LETT, 329(5-6), 2000, pp. 503-510
Authors:
Bludsky, O
Nachtigall, P
Hrusak, J
Jensen, P
Citation: O. Bludsky et al., The calculation of the vibrational states of SO2 in the (C)over-tilde(1)B(2) electronic state up to the SO((3)Sigma(-))+O(P-3) dissociation limit, CHEM P LETT, 318(6), 2000, pp. 607-613
Authors:
Nachtigallova, D
Nachtigall, P
Sierka, M
Sauer, J
Citation: D. Nachtigallova et al., Coordination and siting of Cu+ ions in ZSM-5: A combined quantum mechanicsinteratomic potential function study, PCCP PHYS C, 1(8), 1999, pp. 2019-2026
Authors:
Pittner, J
Nachtigall, P
Carsky, P
Masik, J
Hubac, I
Citation: J. Pittner et al., Assessment of the single-root multireference Brillouin-Wigner coupled-cluster method: Test calculations on CH2, SiH2, and twisted ethylene, J CHEM PHYS, 110(21), 1999, pp. 10275-10282
Authors:
Atkinson, S
Combelles, C
Vincent, D
Nachtigall, P
Pawloski, J
Breese, M
Citation: S. Atkinson et al., Monitoring of progesterone in captive female false killer whales, Pseudorca crassidens, GEN C ENDOC, 115(3), 1999, pp. 323-332
Authors:
Nachtigall, P
Hrusak, J
Bludsky, O
Iwata, S
Citation: P. Nachtigall et al., Investigation of the potential energy surfaces for the ground (X)over-tilde(1)A(1) and excited (C)over-tilde(1)B(2) electronic states of SO2, CHEM P LETT, 303(3-4), 1999, pp. 441-446
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