✦ LIBER ✦

Bond-Orbital calculations for CH4, NH3 and H2O

✍ Scribed by J. Krell; Ch. Zuhrt; L. Zülicke

Book ID: 107731337
Publisher: Elsevier Science
Year: 1969
Tongue: English
Weight: 192 KB
Volume: 4
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(69)80179-x

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Ab initio calculations on the C-H… O hyd

Ab initio calculations on the C-H… O hydrogen-bonded systems CH4-H2O, CH3NH2-H2O and CH3NH3+-H2O

✍ T. van Mourik; F.B. van Duijneveldt 📂 Article 📅 1995 🏛 Elsevier Science 🌐 English ⚖ 944 KB

Extended group function calculations for

Extended group function calculations for H2O, NH3 and CH4

✍ P. F. Franchini; R. Moccia; M. Zandomeneghi 📂 Article 📅 1970 🏛 John Wiley and Sons 🌐 English ⚖ 622 KB

## Abstract Wave functions expressed as antisymmetrized products of strongly orthogonal geminals have been evaluated for H~2~O, NH~3~ and CH~4~. The geminals have been expressed as linear combinations of 2 × 2 detors constructed with localized SCF‐MO's. Several ground state observables have been co

Double orbital exponent SCF functions fo

Double orbital exponent SCF functions for H2O, NH3, CH4

✍ Carla Guidotti; Oriano Salvetti 📂 Article 📅 1968 🏛 Springer 🌐 English ⚖ 204 KB

GF calculation with minimal and extended

GF calculation with minimal and extended basis sets for H2O, NH3, CH4and H2O2

✍ Pier Filippo Franchini; Claudio Vergani 📂 Article 📅 1969 🏛 Springer 🌐 English ⚖ 467 KB

Ab Initio Calculations of the Barriers t

Ab Initio Calculations of the Barriers to Internal Rotation of CH3CH3, CH3NH2, CH3OH, N2H4, H2O2, and NH2OH

✍ Pedersen, L. 📂 Article 📅 1967 🏛 American Institute of Physics 🌐 English ⚖ 749 KB

Structure of [NH3(CH2)4NH3]2P4O12·2H2O

✍ E.H. Soumhi; I. Saadoune; A. Driss; T. Jouini 📂 Article 📅 1998 🏛 Elsevier Science 🌐 English ⚖ 338 KB

Atter a short survey of what is the present state of the cydophosphates associated with the organic molecule NH2(CH2)4NH2, we report chemical preparation and crystal structure for a now example of such compotmds. [NH3(CH2)4NH312P4012.2H20 is monoelinic (S.G : P21/n), with Z = 2 and the following uni