✦ LIBER ✦

Gibbs energy of solution and molecular structural coefficients of 85 solutes on 20 gas chromatographic stationary phases

✍ Scribed by JoséAntonio García-Domínguez; JoséMaría Santiuste; Qiong Dai

Book ID: 108341152
Publisher: Elsevier Science
Year: 1997
Tongue: English
Weight: 899 KB
Volume: 787
Category: Article
ISSN: 1873-3778
DOI: 10.1016/s0021-9673(97)00625-0

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Molecular structural coefficients of Tak

Molecular structural coefficients of Takács. Their dependence on column temperature, stationary phase polarity and solute chemical nature

✍ J. M. Santiuste 📂 Article 📅 1994 🏛 Springer 🌐 English ⚖ 660 KB

Effect of molecular structure on the sol

Effect of molecular structure on the solute-micelle and solute-stationary phase binding constants in micellar liquid chromatography

✍ Hanfa Zou; Yukui Zhang; Peichang Lu 📂 Article 📅 1995 🏛 Elsevier Science 🌐 English ⚖ 918 KB

The effects of molecular structure on the solute-micelle and solute-stationary phase binding constants in micellar liquid chromatography (MLC) have been investigated. The following points have been observed. (1) There is quite a good linear relationship between the solute-micelle and solute-stationa

Selection of a Trio of Different Selecti

Selection of a Trio of Different Selective Gas Chromatographic Stationary Phases, and Use of Retention Ratios Between Phase Pairs to Indicate Some Solute Structures: “MPMS” Liquid Crystal Polysiloxane Re-assessed

✍ T. J. Betts 📂 Article 📅 2003 🏛 Springer 🌐 English ⚖ 304 KB

Quantum chemical calculations for the de

Quantum chemical calculations for the determination of the molecular structure of conjugated compounds: Part XIII. On the conformational structure of rans-benzylideneaniline in the gas phase and in solution

✍ Hans-Joerg Hofmann; Frieder Birnstock 📂 Article 📅 1978 🏛 Elsevier Science 🌐 English ⚖ 427 KB

Computational design of benzothiazole-de

Computational design of benzothiazole-derived push?pull dyes with high molecular quadratic hyperpolarizabilitiesElectronic supplementary information (ESI) available: Table S1: Heats of formation and relevant torsional angles (AM1) and ZINDO (gas phase and dioxane solution) dipole moments and ?vec-values for different conformations of compounds 1?51. Table S2: B3LYP/6-31G* energies, zero point energy corrections (au), torsional angles, DRRPA-HF/6-31G* and ZINDO (gas phase) hyperpolarizabilities for different conformations. Table S3: Contributions (two-state model, other configurations) to ZINDO gas phase hyperpolarizabilities (B3LYP/6-31G* lowest energy conformation). Table S4: Orbital energies and coefficients (2pz, 3pz) of the two highest occupied and two lowest virtual orbitals of pertinent model compounds. Table S5: Main configurations (gas phase, ZINDO, B3LYP/6-31G* geometry), wavenumbers ?, oscillator strengths f, and difference ?� of dipole moment for the first two electronic transitions (states). Table S6: Main configurations (gas phase, TDDFT/B3LYP/6-31G*//B3LYP/6-31G*), wavenumbers ? and oscillator strengths f for the first few electronic transitions (states) of compounds 1?4, 16, 42 and 48?50. Table S7: ZINDO SOS results (wavelength ?max of first absorption band (f > 0.1), dipole moment �, and ?vec-values for compounds 1?51 in the gas phase. See http://www.rsc.org/suppdata/cp/b3/b314150k/

✍ Hrobarik, Peter; Zahradnik, Pavol; Fabian, Walter M. F. 📂 Article 📅 2004 🏛 Royal Society of Chemistry 🌐 English ⚖ 410 KB