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7149 results: 7106 articles and 43 books or book chapters
Last updated: 2026/05/04-
3641
Toward multiscale modeling of thin-film growth processes using SLKMC
S. R. Acharya, and T. S. Rahman
J. Mater. Res. 33, 709 (2018). -
3642
Analytic second-order energy derivatives in natural orbital functional
theory
I. Mitxelena, and M. Piris
J. Math. Chem. 56, 1445 (2018). -
3643
The Maximum Positive Curvature Recognition Method to Determine Etch
Profiles in Wet Etching of Quartz on AT and BT Cuts
Y. Xing, J. Zhang, M. A. Gosalvez, H. Zhang, Y. Li, and S. Zhou
J. Microelectromech. Syst. 27, 730 (2018). -
3644
Hydrogen bonds and other interactions as a response to protect
doublet/octet electron structure
S. J. Grabowski
J. Mol. Model. 24, 38 (2018). -
3645
Roadmap on plasmonics
M. I. Stockman, K. Kneipp, S. I. Bozhevolnyi, S. Saha, A. Dutta, J. Ndukaife, N. Kinsey, H. Reddy, U. Guler, V. M. Shalaev, A. Boltasseva, B. Gholipour, H. N. S. Krishnamoorthy, K. F. MacDonald, C. Soci, N. I. Zheludev, V. Savinov, R. Singh, P. Gross, C. Lienau, et al.
J. Opt. 20, 043001 (2018). -
3646
Alkaloids reactivity: DFT analysis of selective demethylation reactions
O. Larranaga, J. I. Miranda, F. P. Cossio, and A. de Cozar
J. Org. Chem. 83, 15101 (2018). -
3647
Synthesis of exo-Imidazolidin-2-one Dienes, Their Isomerization, and
Selectivity in Diels-Alder Cycloadditions
C. Espinoza-Hicks, P. Montoya, R. Bautista, H. A. Jimenez-Vazquez, L. M. Rodriguez-Valdez, A. A. Camacho-Davila, F. P. Cossio, F. Delgado, and J. Tamariz
J. Org. Chem. 83, 5347 (2018). -
3648
Revised Theoretical Model on Enantiocontrol in Phosphoric Acid Catalyzed
H-Transfer Hydrogenation of Quinoline
J. Pastor, E. Rezabal, A. Voituriez, J. -F. Betzer, A. Marinetti, and G. Frison
J. Org. Chem. 83, 2779 (2018). -
3649
1,3-Dioxa-[3,3]-sigmatropic Oxo-Rearrangement of Substituted Allylic
Carbamates: Scope and Mechanistic Studies
M. Agirre, S. Henrion, I. Rivilla, J. I. Miranda, F. P. Cossio, B. Carboni, , J. M. Villalgordo, and F. Carreaux
J. Org. Chem. 83, 14861 (2018). -
3650
A Definition of the Magnetic Transition Temperature Using Valence Bond
Theory
J. Jornet-Somoza, M. Deumal, J. Borge, and M. A. Robb
J. Phys. Chem. A 122, 2168 (2018). -
3651
Comparison of Electron and Ion Emission from Xenon Cluster-Induced
Ignition of Helium Nanodroplets
M. Kelbg, A. Heidenreich, L. Kazak, M. Zabel, B. Krebs, K. -H. Meiwes-Broer, and J. Tiggesbaeumker
J. Phys. Chem. A 122, 8107 (2018). -
3652
Electron-Pair Distribution in Chemical Bond Formation
M. Rodriguez-Mayorga, M. Via-Nadal, M. Sola, J. M. Ugalde, X. Lopez, and E. Matito
J. Phys. Chem. A 122, 1916+ (2018). -
3653
Density Functional Theory Study on the Demethylation Reaction between
Methylamine, Dimethylamine, Trimethylamine, and Tamoxifen Catalyzed by a
Fe(IV)-Oxo Porphyrin Complex
N. Alberro, M. Torrent-Sucarrat, A. Arrieta, G. Rubiales, and F. P. Cossio
J. Phys. Chem. A 122, 1658 (2018). -
3654
Oxidation of Acid, Base, and Amide Side-Chain Amino Acid Derivatives via
Hydroxyl Radical
J. Uranga, J. I. Mujika, R. Grande-Aztatzi, and J. M. Matxain
J. Phys. Chem. B 122, 4956 (2018). -
3655
Instrumental Effects in the Dynamics of an Ultrafast Folding Protein
under Mechanical Force
D. De Sancho, J. Schonfelder, R. B. Best, R. Perez-Jimenez, and V. Munoz
J. Phys. Chem. B 122, 11147 (2018). -
3656
Density Functional Theory Modeling of Solid-State Nuclear Magnetic
Resonances for Polycyclic Aromatic Hydrocarbons
V. Diez-Gomez, I. Sobrados, J. Sanz, M. Carrera, A. Guijarro, J. A. Verges, and P. L. de Andres
J. Phys. Chem. C 122, 11008 (2018). -
3657
Effect of Structural Fluctuations on Elastic Lifetimes of Adsorbate
States: Isonicotinic Acid on Rutile(110)
M. Mueller, D. Sanchez-Portal, H. Lin, G. P. Brivio, A. Selloni, and G. Fratesi
J. Phys. Chem. C 122, 7575 (2018). -
3658
Nonmetallic FeH6 under High Pressure
S. Zhang, J. Lin, Y. Wang, G. Yang, A. Bergara, and Y. Ma
J. Phys. Chem. C 122, 12022 (2018). -
3659
Multicenter Bonding Effects in Oxygen Vacancy in the Bulk and on the
Surface of MgO
I. A. Popov, E. Jimenez-Izal, A. N. Alexandrova, and A. I. Boldyrev
J. Phys. Chem. C 122, 11933 (2018). -
3660
Tracing Polymerization in Calcium Silicate Hydrates Using Si Isotopic
Fractionation
R. Dupuis, J. S. Dolado, J. Surga, and A. Ayuela
J. Phys. Chem. C 122, 8356 (2018).