EPT
发表于 2025-3-26 23:55:55
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Acetaminophen
发表于 2025-3-27 01:10:46
How the molecular face and the interaction vary as H atom approach H2 molecule,c 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
Common-Migraine
发表于 2025-3-27 06:14:50
,State-to-state quantum versus classical dynamics study of the OH + CO → H + CO, reaction in full diground 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
吞没
发表于 2025-3-27 11:16:04
NO adsorption and transformation on the BaO surfaces from density functional theory calculations,ns 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
大暴雨
发表于 2025-3-27 16:10:14
,Microwave and infrared spectra of CO–(pH2)2, CO–(oD2)2, and mixed CO–pH2–He trimers,obal 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
Fillet,Filet
发表于 2025-3-27 21:19:37
Numerical solution of solvent reorganization energy and its application in electron transfer reactiual polarization, which equilibrates with the constraining extra electric fi eld. In this work, a matrix form of .. has been formulated based our new analytical expression of the solvent reorganization energy. By means of the integral equation formulation- polarizable continuum model ( IEF - PCM ),
固定某物
发表于 2025-3-27 22:33:24
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Sinus-Rhythm
发表于 2025-3-28 05:45:26
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dry-eye
发表于 2025-3-28 06:28:35
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preeclampsia
发表于 2025-3-28 13:35:40
Bestimmung und Analyse der Asche by locating the relevant stationary points along the excitedstate and ground-state reaction paths, the clockwise and anticlockwise rotary cycles are explored in great detail, which is of complementary importance in understanding the overall rotary process of the reversible rotation.