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楼主: Eschew
发表于 2025-3-23 16:57:24 | 显示全部楼层
发表于 2025-3-23 21:18:24 | 显示全部楼层
https://doi.org/10.1007/978-3-031-26287-6c contours ( MICC) is defi ned uniquely and intrinsically, and then, the electron density distribution is mapped on the MICC which is called molecular face ( MF ), an identifi cation card, which is an intrinsic characteristic “ face ” or “ fi ngerprint ” for a molecule. Third, the polarization pheno
发表于 2025-3-24 01:06:46 | 显示全部楼层
E. Burghardt,F. Anderhuber,W. Lichteneggerground rovibrational initial state with total angular momentum fi xed at zero on the accurate potential energy ( PES ) constructed recently by using permutation-invariant polynomial – neural network method ( Li et al. in J Chem Phys 140:044327, 2014 ), to check the validity of the QCT method for the
发表于 2025-3-24 03:05:01 | 显示全部楼层
Walther Meyer zur Capellen,Bernd Janssenns on the BaO (100) surfaces. NO is found to adsorb on the anion sites to form a NO. . species, which can then couple with another NO to form a N. O. . species. These surface species provide an alternative explanation for the infrared bands that were used to be assigned to the nitrite/ nitrate and h
发表于 2025-3-24 07:47:13 | 显示全部楼层
Physiologie und Pathophysiologie des Magensobal potential energy surfaces defi ned as the sum of accurately known two-body pH.–CO or oD.–CO (in Li et al. J Chem Phys 139:164315, 2013), pH.–pH. or oD.–oD. (in Patkowski et al. J Chem Phys 129:094304, 2008 ), and pH.–He pair potentials. A total of four transitions have been reported to date, th
发表于 2025-3-24 11:36:51 | 显示全部楼层
发表于 2025-3-24 17:39:22 | 显示全部楼层
Die Absorption der Wellen im Plasma,tion of ice nucleus, cloud, and atmospheric aerosols. However, understanding on the . -NaCl ion pair interacting with water is very limited. Here, we investigated the adsorption of water molecules on (NaCl) 3, using both theoretical calculations and anion photoelectron spectroscopy measurements. The
发表于 2025-3-24 20:11:44 | 显示全部楼层
Spezielle Rechtsfragen im Handelosition of FOX-7 has three main reaction routes. The C–NO. bond fi ssion as reported previously is indeed the most common route. However, the inter- and intramolecular hydrogen transfers are also found to be valid, which is contradictory to previous energy minimization calculation results. The simul
发表于 2025-3-25 02:45:15 | 显示全部楼层
发表于 2025-3-25 04:04:59 | 显示全部楼层
Transition between direct gap and indirect gap in two dimensional hydrogenated honeycomb , alloys,gaps are opened by hydrogenation for . in the whole range from 0 to 1, while their nature and values can be tuned by .. When . is ≥ 0.7, the gap turns into indirect (from Γ to M). For all the computed compositions, the two kinds of energy differences between valence band and conduction band, Γ – Γ a
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