Keywords: هفت; Non-covalent interaction; MESP; SAPT; NCI; QTAIM;
مقالات ISI هفت (ترجمه نشده)
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Keywords: هفت; ACC/AHA; American College of Cardiology, American Heart Association; ACS; acute coronary syndrome(s); CABG; coronary artery bypass graft surgery; CAD; coronary artery disease; CV; cardiovascular; DAPT; dual antiplatelet therapy; ESC; European Society of C
Keywords: هفت; Van der Waals; SAPT; Energy decomposition; Force field;
Effect of substituent and Ï-stacking interaction on the metal chelation ability of 7-subestituted 2-oxyisoquinoline-1,3(2H,4H)-diones as an HIV integrase inhibitor: A DFT study
Keywords: هفت; HIV integrase (HIV IN); 7-subestituted 2-oxyisoquinoline-1,3(2H,4H)-diones (QIQâ); Ï-stacking; Metal chelation; DFT; SAPT;
Efficacy and safety of sensor-augmented pump therapy (SAPT) with predictive low-glucose management in patients diagnosed with type 1 diabetes mellitus previously treated with SAPT and low glucose suspend
Keywords: هفت; T1D; type 1 diabetes mellitus; SAPT; sensor-augmented insulin pump therapy; A1c; glycated hemoglobin; DKA; diabetic ketoacidosis; LGS; low glucose suspension; CGM; continuous glucose monitoring; SH; severe hypoglycemia; HU; hypoglycemia unawareness; ADA;
Aspirin Versus Aspirin Plus Clopidogrel as Antithrombotic Treatment Following Transcatheter Aortic Valve Replacement With a Balloon-Expandable Valve
Keywords: هفت; aortic stenosis; aspirin; bleeding; clopidogrel; stroke; transcatheter aortic valve replacement; CI; confidence interval; DAPT; dual antiplatelet therapy; MI; myocardial infarction; OR; odds ratio; SAPT; single-antiplatelet therapy; TAVR; transcatheter a
Antiplatelet Agents for the Treatment and Prevention of Coronary Atherothrombosis
Keywords: هفت; aspirin; cangrelor; clopidogrel; prasugrel; ticagrelor; vorapaxar; ACS; acute coronary syndromes; CABG; coronary artery bypass graft; CAD; coronary artery disease; COX; cyclooxygenase; DAPT; dual antiplatelet therapy; ICH; intracranial hemorrhage; MI; myo
Impact of deformation energy on the hydrogen bonding interactions in gas phase 3-X catecholâ¯H2O complexes (X = H, F, Cl, Br): The effect of approach of a water molecule
Keywords: هفت; Hydrogen bond; Deformation energy; NBO; CTP; SAPT; 3-Halo catechol;
Long-range behavior of noncovalent bonds. Neutral and charged H-bonds, pnicogen, chalcogen, and halogen bonds
Keywords: هفت; Ab initio; MP2; SAPT; Electrostatic energy;
Competition between lone pair-Ï, halogen bond, and hydrogen bond in adducts of water with perhalogenated alkenes C2ClnF4ân (n = 0-4)
Keywords: هفت; Halogenated alkene; NBO; Molecular electrostatic potential; Electron density shift; SAPT;
Structure and NLO properties of halogen (F, Cl) substituted formic acid dimers
Keywords: هفت; Formic acid; SAPT; NLO; CBS; TD-DFT; Hyperpolarizability
The nature of the Iâ¯I interactions and a comparative study with the nature of the Ïâ¯Ï interactions
Keywords: هفت; Iâ¯I interactions; Ïâ¯Ï interactions; CCSD(T)/CBS; SAPT; New computational methods;
Theoretical characters and nature of the intermolecular lithium bonded interactions Bâ¯LiCN/LiNC (B = pyridine, furan and thiophene)
Keywords: هفت; Lithium bond; Intermolecular interaction; MP2; NBO; AIM; SAPT;
Modeling intermolecular potential of He–F2 dimer from symmetry-adapted perturbation theory using multi-gene genetic programming
Keywords: هفت; Potential energy; SAPT; MGGP; Lennard-Jones potential
Symmetry-adapted perturbation theory interaction energy decomposition for H2CY-XF (YÂ =Â O, S, Se; XÂ =Â H, Li, Cl) complex
Keywords: هفت; Hydrogen bond; Lithium bond; Chloride bond; SAPT; AIM;
Theoretical investigation on the interactions between borazine and first-row hydrides
Keywords: هفت; Borazine; SAPT; BH3; Electrostatic;
Halogen bond, hydrogen bond and Nâ¯C interaction - On interrelation among these three noncovalent interactions
Keywords: هفت; Hydrogen bond; Halogen bond; MP2; QTAIM; SAPT; Noncovalent interaction;
Insight into the nature of the interactions of pyridine, funan and thiophene with LiNH2
Keywords: هفت; Lithium bond; Pyridine; Funan; AIM; SAPT;
Computational study on interaction energy changes during double proton transfer process
Keywords: هفت; Formamide-formamidine complex; Formamide-formic acid complex; Double proton transfer; SAPT; Minimal energy path;
Study on the nature of interaction of pyrrole with various hydrides
Keywords: هفت; Pyrrole; Hydrides; SAPT; Dispersion;
Structures of protonated benzene dimer and intermolecular interaction decomposition via symmetry-adapted perturbation theory
Keywords: هفت; Benzenium; Protonated benzene; Benzene dimer; SAPT; Intermolecular interactions;
Theoretical investigations of the nature of interaction of Br2 with hydrogen halide
Keywords: هفت; Hydrogen halide; Sadlej PVTZ; SAPT; Dispersion energy;
Characteristics and nature of the intermolecular interactions between pyridine and various hydrides: A theoretical study
Keywords: هفت; Pyridine; Ab initio calculations; SAPT;
Study on the nature of interaction of thiophene with various hydrides
Keywords: هفت; Ab initio calculations; Intermolecular interactions; SAPT;
Study on the nature of unusual hydrogen-bonded complexes FClHX and halogen-bonded complexes FClClF
Keywords: هفت; SAPT; AIM; Laplacian of charge density;
Theoretical study of the interaction of a proton with the O, F and Cl atoms of enflurane (CHFCl-CF2-O-CHF2)
Keywords: هفت; Enflurane; Proton affinity; Ion-dipole complex; Dissociative protonation; SAPT; MP2;
Theoretical study on intermolecular interactions in BrF/HnX adducts
Keywords: هفت; Charge transfer; SAPT; Halogen bonding; Hydrogen-bonding;
Theoretical investigation on intermolecular interactions between HCN and HNC: The nature and thermodynamic properties
Keywords: هفت; HCN(HNC); Intermolecular interactions; SAPT; Thermodynamic properties;
Computational study of formamide-water complexes using the SAPT and AIM methods
Keywords: هفت; SAPT; AIM hydrogen bond; Formamide; Solvation;