Structures and Bond Energies of the Transition Metal Hexacarbonyls M(CO)6 (M = Cr, Mo, W). A Theoretical Study
Тип публикации: Journal Article
Дата публикации: 1994-02-01
scimago Q1
wos Q1
БС1
SJR: 5.489
CiteScore: 24.4
Impact factor: 15.6
ISSN: 00027863, 15205126
General Chemistry
Catalysis
Biochemistry
Colloid and Surface Chemistry
Краткое описание
The geometries of the hexacarbonyls and pentacarbonyls of chromium, molybdenum, and tungsten are optimized at the Hartree-Fock and ML2 levels of theory using effective core potentials for the metal atoms. The M-CO bond lengths of Mo(CO) 6 and W(CO) 6 predicted at the ML2 level using moderate valence basis sets are in excellent agreement with experimental values. The Cr-CO bond length in Cr(CO) 6 calculated at ML2 is too short. The total bond energies of the metal hexacarbonyls calculated at the CCSD(T) level of theory are slightly lower than the experimentally derived values
Для доступа к списку цитирований публикации необходимо авторизоваться.
Для доступа к списку профилей, цитирующих публикацию, необходимо авторизоваться.
Топ-30
Журналы
|
5
10
15
20
25
30
|
|
|
Inorganic Chemistry
27 публикаций, 10.23%
|
|
|
Journal of Physical Chemistry A
26 публикаций, 9.85%
|
|
|
Organometallics
24 публикации, 9.09%
|
|
|
European Journal of Inorganic Chemistry
16 публикаций, 6.06%
|
|
|
Dalton Transactions
14 публикаций, 5.3%
|
|
|
Journal of Organometallic Chemistry
12 публикаций, 4.55%
|
|
|
Journal of the American Chemical Society
11 публикаций, 4.17%
|
|
|
Journal of Chemical Physics
11 публикаций, 4.17%
|
|
|
New Journal of Chemistry
8 публикаций, 3.03%
|
|
|
International Journal of Quantum Chemistry
7 публикаций, 2.65%
|
|
|
Journal of Chemical Theory and Computation
7 публикаций, 2.65%
|
|
|
Inorganica Chimica Acta
6 публикаций, 2.27%
|
|
|
Chemical Physics Letters
4 публикации, 1.52%
|
|
|
Theoretical Chemistry Accounts
4 публикации, 1.52%
|
|
|
RSC Advances
4 публикации, 1.52%
|
|
|
Molecular Physics
4 публикации, 1.52%
|
|
|
Chemical Physics
3 публикации, 1.14%
|
|
|
Journal of Molecular Modeling
3 публикации, 1.14%
|
|
|
Journal of Computational Chemistry
3 публикации, 1.14%
|
|
|
Chemistry - A European Journal
3 публикации, 1.14%
|
|
|
Radiochimica Acta
3 публикации, 1.14%
|
|
|
The Journal of Physical Chemistry
2 публикации, 0.76%
|
|
|
Coordination Chemistry Reviews
2 публикации, 0.76%
|
|
|
Journal of Molecular Structure THEOCHEM
2 публикации, 0.76%
|
|
|
Polyhedron
2 публикации, 0.76%
|
|
|
Chemical Reviews
2 публикации, 0.76%
|
|
|
Journal of Molecular Liquids
2 публикации, 0.76%
|
|
|
Journal of Electron Spectroscopy and Related Phenomena
2 публикации, 0.76%
|
|
|
Mendeleev Communications
1 публикация, 0.38%
|
|
|
5
10
15
20
25
30
|
Издатели
|
20
40
60
80
100
120
|
|
|
American Chemical Society (ACS)
103 публикации, 39.02%
|
|
|
Elsevier
49 публикаций, 18.56%
|
|
|
Wiley
37 публикаций, 14.02%
|
|
|
Royal Society of Chemistry (RSC)
30 публикаций, 11.36%
|
|
|
Springer Nature
14 публикаций, 5.3%
|
|
|
AIP Publishing
11 публикаций, 4.17%
|
|
|
Taylor & Francis
6 публикаций, 2.27%
|
|
|
Walter de Gruyter
3 публикации, 1.14%
|
|
|
MDPI
2 публикации, 0.76%
|
|
|
OOO Zhurnal "Mendeleevskie Soobshcheniya"
1 публикация, 0.38%
|
|
|
American Physical Society (APS)
1 публикация, 0.38%
|
|
|
Oxford University Press
1 публикация, 0.38%
|
|
|
Acta Physica Sinica, Chinese Physical Society and Institute of Physics, Chinese Academy of Sciences
1 публикация, 0.38%
|
|
|
20
40
60
80
100
120
|
- Мы не учитываем публикации, у которых нет DOI.
- Статистика публикаций обновляется еженедельно.
Вы ученый?
Создайте профиль, чтобы получать персональные рекомендации коллег, конференций и новых статей.
Метрики
264
Всего цитирований:
264
Цитирований c 2025:
1
(0.38%)
Цитировать
ГОСТ |
RIS |
BibTex |
MLA
Цитировать
ГОСТ
Скопировать
Ehlers A. W., Frenking G. Structures and Bond Energies of the Transition Metal Hexacarbonyls M(CO)6 (M = Cr, Mo, W). A Theoretical Study // Journal of the American Chemical Society. 1994. Vol. 116. No. 4. pp. 1514-1520.
ГОСТ со всеми авторами (до 50)
Скопировать
Ehlers A. W., Frenking G. Structures and Bond Energies of the Transition Metal Hexacarbonyls M(CO)6 (M = Cr, Mo, W). A Theoretical Study // Journal of the American Chemical Society. 1994. Vol. 116. No. 4. pp. 1514-1520.
Цитировать
RIS
Скопировать
TY - JOUR
DO - 10.1021/ja00083a040
UR - https://doi.org/10.1021/ja00083a040
TI - Structures and Bond Energies of the Transition Metal Hexacarbonyls M(CO)6 (M = Cr, Mo, W). A Theoretical Study
T2 - Journal of the American Chemical Society
AU - Ehlers, Andreas W
AU - Frenking, Gernot
PY - 1994
DA - 1994/02/01
PB - American Chemical Society (ACS)
SP - 1514-1520
IS - 4
VL - 116
SN - 0002-7863
SN - 1520-5126
ER -
Цитировать
BibTex (до 50 авторов)
Скопировать
@article{1994_Ehlers,
author = {Andreas W Ehlers and Gernot Frenking},
title = {Structures and Bond Energies of the Transition Metal Hexacarbonyls M(CO)6 (M = Cr, Mo, W). A Theoretical Study},
journal = {Journal of the American Chemical Society},
year = {1994},
volume = {116},
publisher = {American Chemical Society (ACS)},
month = {feb},
url = {https://doi.org/10.1021/ja00083a040},
number = {4},
pages = {1514--1520},
doi = {10.1021/ja00083a040}
}
Цитировать
MLA
Скопировать
Ehlers, Andreas W., and Gernot Frenking. “Structures and Bond Energies of the Transition Metal Hexacarbonyls M(CO)6 (M = Cr, Mo, W). A Theoretical Study.” Journal of the American Chemical Society, vol. 116, no. 4, Feb. 1994, pp. 1514-1520. https://doi.org/10.1021/ja00083a040.