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Results:
1-20
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Results: 20
Authors:
de Visser, SP
Filatov, M
Shaik, S
Citation: Sp. De Visser et al., Myers-Saito and Schmittel cyclization of hepta-1,2,4-triene-6-yne: A theoretical REKS study, PHYS CHEM P, 3(7), 2001, pp. 1242-1245
Authors:
Kraka, E
Anglada, J
Hjerpe, A
Filatov, M
Cremer, D
Citation: E. Kraka et al., m-benzyne and bicyclo[3.1.0]hexatriene - which isomer is more stable? - a quantum chemical investigation, CHEM P LETT, 348(1-2), 2001, pp. 115-125
Authors:
Nagler, RM
Gez, E
Rubinov, R
Laufer, D
Ben-Aryeh, H
Gaitini, D
Filatov, M
Kuten, A
Citation: Rm. Nagler et al., The effect of low-dose interleukin-2-based immunotherapy on salivary function and composition in patients with metastatic renal cell carcinoma, ARCH ORAL B, 46(6), 2001, pp. 487-493
Authors:
de Visser, SP
Filatov, M
Shaik, S
Citation: Sp. De Visser et al., REKS calculations on ortho-, meta- and para-benzyne, PHYS CHEM P, 2(22), 2000, pp. 5046-5048
Authors:
Ogliaro, F
Filatov, M
Shaik, S
Citation: F. Ogliaro et al., Alkane hydroxylation by cytochrome P450: Is kinetic isotope effect a reliable probe of transition state structure?, EUR J INORG, (12), 2000, pp. 2455-2458
Authors:
Ogliaro, F
Cohen, S
Filatov, M
Harris, N
Shaik, S
Citation: F. Ogliaro et al., The high-valent compound of cytochrome P450: The nature of the Fe-S bond and the role of the thiolate ligand as an internal electron donor, ANGEW CHEM, 39(21), 2000, pp. 3851
Authors:
Harris, N
Cohen, S
Filatov, M
Ogliaro, F
Shaik, S
Citation: N. Harris et al., Two-state reactivity in the rebound step of alkane hydroxylation by cytochrome P-450: Origins of free radicals with finite lifetimes, ANGEW CHEM, 39(11), 2000, pp. 2003
Authors:
Filatov, M
Reckien, W
Peyerimhoff, SD
Shaik, S
Citation: M. Filatov et al., What are the reasons for the kinetic stability of a mixture of H-2 and O-2?, J PHYS CH A, 104(51), 2000, pp. 12014-12020
Authors:
Filatov, M
Shaik, S
Citation: M. Filatov et S. Shaik, Diradicaloids: Description by the spin-restricted, ensemble-referenced Kohn-Sham density functional method, J PHYS CH A, 104(28), 2000, pp. 6628-6636
Authors:
Woeller, M
Grimme, S
Peyerimhoff, SD
Danovich, D
Filatov, M
Shaik, S
Citation: M. Woeller et al., A theoretical study of the radiationless decay mechanism of cyclic alkenesin the lowest triplet state, J PHYS CH A, 104(22), 2000, pp. 5366-5373
Authors:
Levina, V
Varfolomeeva, E
Sukhareva, E
Shabalina, E
Drobchenko, E
Filatov, M
Citation: V. Levina et al., A new mechanism of mammalian cell resistance to the toxic effects of DNA-binding agents, ATLA-ALT L, 28(3), 2000, pp. 451-456
Authors:
Filatov, M
Shaik, S
Citation: M. Filatov et S. Shaik, Artificial symmetry breaking in radicals is avoided by the use of the Ensemble-Referenced Kohn-Sham (REKS) method, CHEM P LETT, 332(3-4), 2000, pp. 409-419
Authors:
Filatov, M
Shaik, S
Woeller, M
Grimme, S
Peyerimhoff, SD
Citation: M. Filatov et al., Locked alkenes with a short triplet state lifetime, CHEM P LETT, 316(1-2), 2000, pp. 135-140
Authors:
Ogliaro, F
Harris, N
Cohen, S
Filatov, M
de Visser, SP
Shaik, S
Citation: F. Ogliaro et al., A model "rebound" mechanism of hydroxylation by cytochrome P450: Stepwise and effectively concerted pathways, and their reactivity patterns, J AM CHEM S, 122(37), 2000, pp. 8977-8989
Authors:
Filatov, M
Harris, N
Shaik, S
Citation: M. Filatov et al., On the "rebound" mechanism of alkane hydroxylation by cytochrome P450: Electronic structure of the intermediate and the electron transfer character in the rebound step, ANGEW CHEM, 38(23), 1999, pp. 3510-3512
Authors:
Filatov, M
Shaik, S
Citation: M. Filatov et S. Shaik, Tetramethyleneethane (TME) diradical: Experiment and density functional theory reach an agreement, J PHYS CH A, 103(44), 1999, pp. 8885-8889
Authors:
Filatov, M
Harris, N
Shaik, S
Citation: M. Filatov et al., A theoretical study of electronic factors affecting hydroxylation by modelferryl complexes of cytochrome P-450 and horseradish peroxidase, J CHEM S P2, (3), 1999, pp. 399-410
Authors:
Filatov, M
Shaik, S
Citation: M. Filatov et S. Shaik, Application of spin-restricted open-shell Kohn-Sham method to atomic and molecular multiplet states, J CHEM PHYS, 110(1), 1999, pp. 116-125
A spin-restricted ensemble-referenced Kohn-Sham method and its applicationto diradicaloid situations
Authors:
Filatov, M
Shaik, S
Citation: M. Filatov et S. Shaik, A spin-restricted ensemble-referenced Kohn-Sham method and its applicationto diradicaloid situations, CHEM P LETT, 304(5-6), 1999, pp. 429-437
Authors:
Nagler, RM
Barak, M
Peled, M
Ben-Aryeh, H
Filatov, M
Laufer, D
Citation: Rm. Nagler et al., Early diagnosis and treatment monitoring roles of tumor markers Cyfra 21-1and TPS in oral squamous cell carcinoma, CANCER, 85(5), 1999, pp. 1018-1025
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