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New factor Xa inhibitors based on 1,2,3,4-tetrahydroquinoline developed by molecular modelling of inhibiting factor Xa at 5 μM. The best two found 1,2,3,4-tetrahydroquinoline derivatives identified by means
Experimental and Theoretical Study of the Electronic and Steric Structure of Seleno- and Thioacetals were studied by photoelectron spectroscopy, spectrophotometry of charge-transfer complexes, and PM3
On the interpretation of the energy levels of the 4f 3 ground configuration of the free Nd3+ ionThe positions of the energy levels of the 4f 3 ground configuration of the free Nd3+ ion
On the interpretation of the optical spectra of iron-group ionsThe positions of the energy levels of free ions of the iron group V 2+, Cr3+, Mn4+, Fe5+, and Co 6
Structure and intramolecular lability of N-(thio)phosphoryl(thio)amides: XIV. Electronic structure and spatial arrangement of N-[diisopropoxy(thio) phosphoryl](thio)benzamides of the tautomeric forms of N-[diisopropoxy(thio)phosphoryl] (thio)benzamides were carried out by the PM3 method
Experimental studies, line-shape analysis and semi-empirical calculations of broadening coefficients for CH3 35Cl-CO2 submillimeter transitionsExperimental studies, line-shape analysis and semi-empirical calculations of broadening
Approximate Solutions of the RSIR Model of COVID-19 Pandemic the COVID-19 pandemic development by approximate solution of RSIR model is proposed. The input data
Approximate Solution to a Model of the far Momentumless Axisymmetric Turbulent Wake mathematical model based on k − ε semi-empirical model of turbulence. A group-theoretical analysis
EXCITED STATES, GENERATION OF LIGHT AND PHOTOPROCESSES IN SERIES OF COMPLEX N, O, S POLYATOMIC MOLECULES absorption on the S1* yields Sn* ((sigma) 3S*) and T1 yields Tn ((sigma) 2T*) transitions is maximum.
Влияние термодинамического состояния на фотофизические свойства цианоантраценаSemi-empirical Quantum-Chemical calculations of the photophysical molecular properties
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