Results 81 to 90 of about 3,012,302 (181)

Ab initio Vibration-Rotation Spectroscopy

CHIMIA, 2004
This review surveys recent theoretical work from our group in the area of vibration-rotation spectroscopy. It addresses the computation of anharmonic force fields and spectroscopic constants in the context of rovibrational perturbation theory as well as variational calculations of vibrational levels, on the basis of highly accurate ab initio potential ...
openaire   +2 more sources

Synergy of Theory, NMR, and Rotational Spectroscopy to Unravel Structural Details of D-Altroside Puckering and Side Chain Orientation. [PDF]

Chemistry
Loru D, Lütjohann C, Näther C, Lindhorst TK, Schnell M, Auer AA.   +5 more
europepmc   +1 more source

High-resolution rovibrational and rotational spectroscopy of the singly deuterated cyclopropenyl cation, c-C₃H₂D.

Faraday Discuss, 2023
Gupta D, Silva WGDP, Doménech JL, Plaar E, Thorwirth S, Schlemmer S, Asvany O.   +6 more
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

Rotational spectroscopy and astronomical search for glutaronitrile^★. [PDF]

Astron Astrophys, 2020
Cabezas C, Bermúdez C, Endo Y, Tercero B, Cernicharo J.   +4 more
europepmc   +1 more source

Rotational Spectroscopy Pinpoints the Tetrahydrate as the Onset of Water Self-Aggregation in Sevoflurane Hydration. [PDF]

J Phys Chem Lett
Steber AL, Evangelisti L, Lobsiger S, Kisiel Z, Pate BH, Lesarri A, Pérez C.   +6 more
europepmc   +1 more source

Elucidating the Three-Dimensional Structure of Piracetam through Rotational Spectroscopy. [PDF]

ChemistryOpen
Mato S, Municio S, Alonso JL, Alonso ER, León I.   +4 more
europepmc   +1 more source

Elucidating the Structures of Substituted Adamantyl Esters and Ethers Using Rotational Spectroscopy and Computations. [PDF]

Chemphyschem
Burić N, Loru D, Alić J, Šekutor M, Schnell M, Pinacho P.   +5 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

Determining the Molecular Shape of Progesterone: Insights from Laser Ablation Rotational Spectroscopy. [PDF]

J Phys Chem Lett
Insausti A, Alonso ER, Municio S, León I, Kolesniková L, Mata S.   +5 more
europepmc   +1 more source