Results 91 to 100 of about 30,690 (171)

Spectroscopic Investigation of van der Waals Interactions in the Mg-Kr Diatomic System and Its Cations: Mg⁺-Kr and Mg²⁺-Kr. [PDF]

J Phys Chem A
Zrafi W, Dhiflaoui J, Bejaoui M, Berriche H.   +3 more
europepmc   +1 more source

Non-relativistic and relativistic correlated Gaussian basis sets : application to calculations of spectroscopic constants and molecular electric and magnetic properties

, 2009
Giuseppi Gava Camiletti
openalex   +1 more source

Photophysical and DNA-Binding Properties of Phenoxazine-Based Push-Pull Type Organic Chromophores: Insights From DFT, Molecular Docking, and Optical Studies. [PDF]

ChemistryOpen
Naik P, Aravinda T, Gouthami K, Reddy VD, Vinay Kumar B, Yennawar NH, Keremane KS.   +6 more
europepmc   +1 more source

HNO Dimerization as a Chemical Reference Standard for N₂O Isotopomer Ratio: Ab Initio Calculations, Formation Kinetics, and Frequency Comb Spectroscopy. [PDF]

J Am Chem Soc
Sadiek I, Hjältén A, Friedrichs G, Foltynowicz A.   +3 more
europepmc   +1 more source

Fragmentation Dynamics of Benzoyl Peroxide: Insights from Rotational Spectroscopy. [PDF]

J Phys Chem Lett
Mato S, Municio S, Alonso JL, Alonso ER, León I.   +4 more
europepmc   +1 more source

CO₂ Versus CH₄ Aggregation on Trifluorobenzene: Molecular Level Characterization via Rotational Spectroscopy. [PDF]

Angew Chem Int Ed Engl
Xie F, Schnell M.
europepmc   +1 more source

Cold-Captured Dynamic Hydration Networks in Oxime-Based Photoswitches: A Theoretical Challenge Uncovered by Rotational Spectroscopy. [PDF]

Angew Chem Int Ed Engl
Roque RJC, Campos NM, Gouveia M, Domingos SR.   +3 more
europepmc   +1 more source

Multireference Equation-of-Motion Driven Similarity Renormalization Group: Theoretical Foundations and Applications to Ionized States. [PDF]

J Chem Theory Comput
Zhao Z, Li S, Evangelista FA.
europepmc   +1 more source

Deciphering the binding mechanism of tafamidis to calf thymus DNA: multimodal spectroscopic, thermodynamic, and computational perspectives. [PDF]

RSC Adv
Alossaimi MA, Elmansi H, Belal F, Magdy G.   +3 more
europepmc   +1 more source

Isotopic chirality and high-resolution gigahertz and terahertz spectroscopy of <i>trans</i>-2,3-dideutero-oxirane (<i>tc</i>-CHDCHDO).

Phys Chem Chem Phys
Chen Z, Albert S, Keppler K, Wichmann G, Quack M, Schurig V, Trapp O.   +6 more
europepmc   +1 more source