✦ LIBER ✦

Theoretical Study of the Excited State Properties and Transitions of 2-Aminopurine in the Gas Phase and in Solution

✍ Scribed by Jean, John M.; Hall, Kathleen B.

Book ID: 126854253
Publisher: American Chemical Society
Year: 2000
Tongue: English
Weight: 121 KB
Volume: 104
Category: Article
ISSN: 1089-5639
DOI: 10.1021/jp9938258

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Excited State Properties of 7-Hydroxy-4-

Excited State Properties of 7-Hydroxy-4-methylcoumarin in the Gas Phase and in Solution. A Theoretical Study

✍ Georgieva, I.; Trendafilova, N.; Aquino, A.; Lischka, H. 📂 Article 📅 2005 🏛 American Chemical Society 🌐 English ⚖ 463 KB

Excited State Proton Transfer in Guanine

Excited State Proton Transfer in Guanine in the Gas Phase and in Water Solution: A Theoretical Study

✍ Shukla, M. K.; Leszczynski, Jerzy 📂 Article 📅 2005 🏛 American Chemical Society 🌐 English ⚖ 390 KB

Theoretical study of the kojic acid stru

Theoretical study of the kojic acid structure in gas phase and aqueous solution

✍ Rita Kakkar; Chayannika Singh 📂 Article 📅 2011 🏛 John Wiley and Sons 🌐 English ⚖ 351 KB

## Abstract Density functional calculations at the B3LYP/6‐311++G\*\* level have been performed to determine the ground‐state conformational preference for kojic acid, a widely used skin‐whitening, antibrowning, and antibacterial agent. It is found that the gas phase consists almost entirely of the

Multiconfigurational Self-Consistent Fie

Multiconfigurational Self-Consistent Field Study of the Excited State Properties of 4-Thiouracil in the Gas Phase

✍ Shukla, M. K.; Leszczynski, Jerzy 📂 Article 📅 2004 🏛 American Chemical Society 🌐 English ⚖ 439 KB

Theoretical studies on the transition-st

Theoretical studies on the transition-state imbalance in malononitrile anion-forming reactions in the gas phase and in water

✍ Ikchoon Lee; Chang Kon Kim; Bon-Su Lee; Chan Kyung Kim; Hai Whang Lee; In Suk Ha 📂 Article 📅 1997 🏛 John Wiley and Sons 🌐 English ⚖ 122 KB 👁 2 views

Semiempirical MO theoretical studies were carried out on the nucleophilic addition of phenoxide nucleophiles to 1,1-dicyano-2-arylethenes in the gas phase and in water using the AM1 method and the Cramer-Truhlar solvation model SM2.1. The gas-phase ␣ n and ␤ n values are 0•81 and 0•65, respectively,

Theoretical studies of the structure and

Theoretical studies of the structure and stability of protonated olefins in the gas phase and in solution

✍ Hans-Joachim Rauscher; Dietmar Heidrich; Hans-Joachim Köhler; Dieter Michel 📂 Article 📅 1980 🏛 Springer 🌐 English ⚖ 457 KB