✦ LIBER ✦

Non-empirical quantum chemical calculations of the structure of a homologous series of N-alkylpyridinium cations

✍ Scribed by Belotserkovets, N. I.; Nikol’skii, V. M.

Book ID: 124053711
Publisher: SP MAIK Nauka/Interperiodica
Year: 2014
Tongue: English
Weight: 303 KB
Volume: 55
Category: Article
ISSN: 0022-4766
DOI: 10.1134/S0022476614020036

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Structural study of smectic A phases in

Structural study of smectic A phases in homologous series of N -alkylpyridinium alkylsulphates

✍ Cruz, C.; Heinrich, B.; Ribeiro, A. C.; Bruce, D. W.; Guillon, D. 📂 Article 📅 2000 🏛 Taylor and Francis Group 🌐 English ⚖ 328 KB

Quantum-chemical calculations of the ele

Quantum-chemical calculations of the electronic structure and reactivity of silylenes

✍ I. A. Abronin; N. A. Avdyukhina; V. N. Krutii; E. A. Chernyshev 📂 Article 📅 1994 🏛 Springer 🌐 English ⚖ 252 KB

Structure of the HOO-N=N-OOH intermediat

Structure of the HOO-N=N-OOH intermediate in hydrogen peroxide activation of N2: Quantum chemical DFT calculations

✍ Zakharov, I. I.; Loriya, M. G.; Tselishchev, A. B. 📂 Article 📅 2013 🏛 SP MAIK Nauka/Interperiodica 🌐 English ⚖ 267 KB

Quantum chemical calculations on the str

Quantum chemical calculations on the structure and conformation of substituted ethylene radical cations and on their ESR spectra

✍ Josef Kalcher; G. Olbrich 📂 Article 📅 1983 🏛 Elsevier Science 🌐 English ⚖ 780 KB

Through-bond interaction in the radical

Through-bond interaction in the radical cation of N,N-dimethylpiperazine. Resonance Raman spectroscopy and quantum chemical calculations

✍ A.M. Brouwer; F.W. Langkilde; K. Bajdor; R. Wilbrandt 📂 Article 📅 1994 🏛 Elsevier Science 🌐 English ⚖ 480 KB

The radical cation of N,Ndimethylpiperazine is investigated by resonance Raman spectroscopy and ab initio calculations. The calculations strongly support the assignment of the vibrational spectrum to a chair conformation. It is shown that a dramatic geometry relaxation following ionization allows a

Non-empirical quantum-mechanical calcula

Non-empirical quantum-mechanical calculation of the electronic structure and equilibrium geometry of phosphate and arsenate ions

✍ B. F. Shchegolev; A. N. Lazarev 📂 Article 📅 1993 🏛 SP MAIK Nauka/Interperiodica 🌐 English ⚖ 281 KB