Effect of intermolecular O-H ⋯ O hydrogen bonding on the molecular structure of phenol: An ab initio molecular orbital study

被引：0

作者：

Ramondo, Fabio ^{[1
]}

Bencivenni, Luigi ^{[1
]}

Portalone, Gustavo ^{[1
]}

Domenicano, Aldo ^{[2
]}

机构：

[1] Department of Chemistry, University of Rome 'La Sapienza,', Rome, Italy

[2] Department of Chemistry, Chemical Engineering and Materials, University of L'Aquila, L'Aquila, I-67100, Italy

来源：

Structural Chemistry | 1995年 / 6卷 / 01期

关键词：

D O I：

暂无

中图分类号：

学科分类号：

摘要：

引用

页码：37 / 45

共 50 条

[41] Structure and stability of [H2,O2]+ doublet and quartet state cations.: An ab initio molecular orbital study
Gonzalez, AI
Mo, O
Yanez, M
ANALES DE QUIMICA-INTERNATIONAL EDITION, 1997, 93 (05): : 310 - 315
[42] Structure and stability of [H-2,Cl,O](+) triplet state cations - A G2 ab initio molecular orbital study
Manuel, M
Mo, O
Yanez, M
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 1997, 398 : 417 - 425
[43] Molecular structure and O-H•••O hydrogen bond in 1-aryl-1,3-diketone malonates
Jimenez-Cruz, Federico
Fragoza Mar, Lubanski
Garcia-Gutierrez, Jose Luis
JOURNAL OF MOLECULAR STRUCTURE, 2013, 1034 : 43 - 50
[44] Proton and Li+ cation interactions with H2O3 and H2O/O2:: Ab initio molecular orbital study
Fujii, T
Yashiro, M
Tokiwa, H
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1997, 119 (50) : 12280 - 12284
[45] Lengthening of O-H distance of the intramolecular O-H...O hydrogen bonds in molecular systems with conjugation
Borisov, EV
RUSSIAN CHEMICAL BULLETIN, 2000, 49 (04) : 758 - 759
[46] O-H•••O versus O-H•••S Hydrogen Bonding. 2. Alcohols and Thiols as Hydrogen Bond Acceptors
Biswal, Himansu S.
Shirhatti, Pranav R.
Wategaonkar, Sanjay
JOURNAL OF PHYSICAL CHEMISTRY A, 2010, 114 (26): : 6944 - 6955
[47] MULTICENTER BONDING IN CARBORANES - AB-INITIO AND SEMIEMPIRICAL MOLECULAR-ORBITAL STUDY
GUEST, MF
HILLIER, IH
MOLECULAR PHYSICS, 1973, 26 (02) : 435 - 452
[48] Intramolecular hydrogen bonding and molecular structure of 2-iminomethyl-phenol and molecular structure of iminomethyl-benzene from ab initio MO calculations Chemistry
J Molec Struct, (107):
[49] Benzannelation effect on enediyne cycloaromatization: An ab initio molecular orbital study
Koseki, S
Fujimura, Y
Hirama, M
JOURNAL OF PHYSICAL CHEMISTRY A, 1999, 103 (38): : 7672 - 7675
[50] Direct ab initio molecular dynamics study of C++H2O
Ishikawa, Y
Binning, RC
Ikegami, T
CHEMICAL PHYSICS LETTERS, 2001, 343 (3-4) : 413 - 419

← 1 2 3 4 5 →