American Chemical Society (ACS)

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State-Specific Brillouin−Wigner Multireference Coupled Cluster Study of the Singlet−Triplet Separation in the Tetramethyleneethane Diradical
American Chemical Society (ACS) - Tập 105 Số 8 - Trang 1354-1356 - 2001
Jiřı́ Pittner, Petr Nachtigall, Petr Čárský, Ivan Hubač
Theoretical Photoabsorption Spectra of ClOOCl and Cl2O
American Chemical Society (ACS) - Tập 104 Số 31 - Trang 7278-7283 - 2000
Alessandro Toniolo, Maurizio Persico, Demetrio Pitea
Calculations of Site-Specific CO Stretching Frequencies for Copper Carbonyls with the “Near Spectroscopic Accuracy”: CO Interaction with Cu+/MFI
American Chemical Society (ACS) - Tập 107 Số 48 - Trang 10381-10388 - 2003
Ota Bludský, Martin Šilhan, Dana Nachtigallová, Petr Nachtigall
Visible Light-Driven Photocatalytic Degradation of Rhodamine B over NaBiO3: Pathways and Mechanism
American Chemical Society (ACS) - Tập 113 Số 37 - Trang 10024-10032 - 2009
Kai Yu, Shaogui Yang, Huan He, Cheng Sun, Chenggang Gu, Yongming Ju
Infrared Chemiluminescence Study of the Reaction of Hydroxyl Radical with Acetaldehyde and the Secondary Reactions of Acetyl Radical with NO2, OH, and H
American Chemical Society (ACS) - Tập 104 Số 42 - Trang 9428-9435 - 2000
N. I. Butkovskaya, D. W. Setser
Chemical Reactivity Profiles of Two Selected Polychlorinated Biphenyls
American Chemical Society (ACS) - Tập 107 Số 48 - Trang 10346-10352 - 2003
Ramakrishnan Parthasarathi, J. Padmanabhan, V. Subramanian, Biswajit Maiti, Pratim Kumar Chattaraj
Characterization of a Dihydrogen Bond on the Basis of the Electron Density
American Chemical Society (ACS) - Tập 102 Số 10 - Trang 1873-1878 - 1998
Paul L. A. Popelier
A Comparison of the Electronic Transition Energies for Ethene, Isobutene, Formaldehyde, and Acetone Calculated Using RPA, TDDFT, and EOM-CCSD. Effect of Basis Sets
American Chemical Society (ACS) - Tập 106 Số 16 - Trang 4192-4199 - 2002
Kenneth B. Wiberg, Anselmo E. de Oliveira, Gary W. Trucks
Magnetic Cooperative Effects in Small Ni–Ru Clusters
American Chemical Society (ACS) - Tập 115 Số 47 - Trang 13950-13955 - 2011
F. Aguilera‐Granja, Roberto C. Longo, L. J. Gallego, A. Vega
Exit Channel Dynamics in a Micro-Hydrated SN2 Reaction of the Hydroxyl Anion
American Chemical Society (ACS) - Tập 117 Số 34 - Trang 8139-8144 - 2013
R. Otto, J. Brox, Sebastian Trippel, Martin Stei, T. Best, Roland Wester
Tổng số: 500   
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