✦ LIBER ✦

Structures, stabilities and vibrational frequencies of (AlF3)m⋯(H2O)n adducts. A density functional study

✍ Scribed by G. Scholz; M. Krossner; A. Dummer; R. Stösser

Book ID: 114143883
Publisher: Elsevier Science
Year: 2000
Tongue: English
Weight: 205 KB
Volume: 505
Category: Article
ISSN: 0166-1280
DOI: 10.1016/s0166-1280(99)00340-1

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

DFT study on the structures, stabilities

DFT study on the structures, stabilities and vibrational frequencies of the CS2–XO− (X=C, N, O) anions

✍ Limin Shao; Mohua Chen; Mingfei Zhou 📂 Article 📅 2001 🏛 Elsevier Science 🌐 English ⚖ 148 KB

Structures and stabilities of C3H4O+˙ is

Structures and stabilities of C3H4O+˙ isomers: A G2 theoretical study

✍ Michael L. McKee; Leo Radom 📂 Article 📅 1993 🏛 John Wiley and Sons 🌐 English ⚖ 577 KB

Six stable isomers and two transition structures were characterized on the C3H,0+' potential energy surface using the G2 procedure. Heat capacity corrections were made to allow the direct calculation of heats of formation at 1298 K. The most stable isomer is the methylketene radical cation (1, AH, 2

Structures, stabilities, and electronic

Structures, stabilities, and electronic properties of AlnAu (n= 1–15) clusters: A density functional study

✍ Li, S. Y.; Guo, L.; Zhang, R. J.; Zhang, X. 📂 Article 📅 2014 🏛 SP MAIK Nauka/Interperiodica 🌐 English ⚖ 411 KB

Reaction of a Mo Atom with H 2 , N 2 , a

Reaction of a Mo Atom with H 2 , N 2 , and O 2 : A Density Functional Study

✍ Martínez, Ana; Köster, Andreas M.; Salahub, Dennis R. 📂 Article 📅 1997 🏛 American Chemical Society 🌐 English ⚖ 307 KB

Reaction of a Cr Atom with H 2 , N 2 , a

Reaction of a Cr Atom with H 2 , N 2 , and O 2 : A Density Functional Study

✍ Martínez, Ana 📂 Article 📅 1998 🏛 American Chemical Society 🌐 English ⚖ 111 KB

Density Functional Theory Study of the S

Density Functional Theory Study of the Structures and Properties of (H2AlN3)n (n = 1—4) Clusters.

✍ Qi Ying Xia; He Ming Xiao; Xue Hai Ju; Xue Dong Gong 📂 Article 📅 2004 🏛 John Wiley and Sons ⚖ 50 KB 👁 2 views