Beyond DP4: an Improved Probability for the Stereochemical Assignment of Isomeric Compounds using Quantum Chemical Calculations of NMR Shifts
Тип публикации: Journal Article
Дата публикации: 2015-12-10
SCImago Q2
WOS Q1
БС1
SJR: 0.604
CiteScore: 5.8
Impact factor: 3.3
ISSN: 00223263, 15206904
PubMed ID:
26580165
Organic Chemistry
Краткое описание
The DP4 probability is one of the most sophisticated and popular approaches for the stereochemical assignment of organic molecules using GIAO NMR chemical shift calculations when only one set of experimental data is available. In order to improve the performance of the method, we have developed a modified probability (DP4+), whose main differences from the original DP4 are the inclusion of unscaled data and the use of higher levels of theory for the NMR calculation procedure. With these modifications, a significant improvement in the overall performance was achieved, providing accurate and confident results in establishing the stereochemistry of 48 challenging isomeric compounds.
Найдено
Ничего не найдено, попробуйте изменить настройки фильтра.
Для доступа к списку цитирований публикации необходимо авторизоваться.
Для доступа к списку профилей, цитирующих публикацию, необходимо авторизоваться.
Топ-30
Журналы
|
20
40
60
80
100
120
140
|
|
|
Journal of Natural Products
139 публикаций, 10.95%
|
|
|
Phytochemistry
121 публикация, 9.54%
|
|
|
Fitoterapia
75 публикаций, 5.91%
|
|
|
Journal of Organic Chemistry
65 публикаций, 5.12%
|
|
|
Bioorganic Chemistry
63 публикации, 4.96%
|
|
|
Chemistry and Biodiversity
52 публикации, 4.1%
|
|
|
Organic Letters
48 публикаций, 3.78%
|
|
|
Marine Drugs
47 публикаций, 3.7%
|
|
|
Natural Product Research
44 публикации, 3.47%
|
|
|
Molecules
42 публикации, 3.31%
|
|
|
Organic and Biomolecular Chemistry
31 публикация, 2.44%
|
|
|
Organic Chemistry Frontiers
28 публикаций, 2.21%
|
|
|
Tetrahedron
26 публикаций, 2.05%
|
|
|
Phytochemistry Letters
21 публикация, 1.65%
|
|
|
Magnetic Resonance in Chemistry
21 публикация, 1.65%
|
|
|
Journal of Molecular Structure
20 публикаций, 1.58%
|
|
|
Tetrahedron Letters
19 публикаций, 1.5%
|
|
|
Journal of Asian Natural Products Research
17 публикаций, 1.34%
|
|
|
Journal of Agricultural and Food Chemistry
17 публикаций, 1.34%
|
|
|
ACS Omega
16 публикаций, 1.26%
|
|
|
Chinese Journal of Natural Medicines
15 публикаций, 1.18%
|
|
|
RSC Advances
15 публикаций, 1.18%
|
|
|
Chinese Chemical Letters
13 публикаций, 1.02%
|
|
|
Chinese Journal of Chemistry
13 публикаций, 1.02%
|
|
|
Journal of the American Chemical Society
13 публикаций, 1.02%
|
|
|
Chemistry - A European Journal
12 публикаций, 0.95%
|
|
|
Chemical Science
12 публикаций, 0.95%
|
|
|
Angewandte Chemie
10 публикаций, 0.79%
|
|
|
Angewandte Chemie - International Edition
10 публикаций, 0.79%
|
|
|
Frontiers in Chemistry
9 публикаций, 0.71%
|
|
|
20
40
60
80
100
120
140
|
Издатели
|
50
100
150
200
250
300
350
400
450
|
|
|
Elsevier
417 публикаций, 32.86%
|
|
|
American Chemical Society (ACS)
324 публикации, 25.53%
|
|
|
Wiley
139 публикаций, 10.95%
|
|
|
MDPI
112 публикаций, 8.83%
|
|
|
Royal Society of Chemistry (RSC)
103 публикации, 8.12%
|
|
|
Taylor & Francis
61 публикация, 4.81%
|
|
|
Springer Nature
57 публикаций, 4.49%
|
|
|
Frontiers Media S.A.
17 публикаций, 1.34%
|
|
|
Beilstein-Institut
4 публикации, 0.32%
|
|
|
Oxford University Press
4 публикации, 0.32%
|
|
|
King Saud University
4 публикации, 0.32%
|
|
|
Georg Thieme Verlag KG
4 публикации, 0.32%
|
|
|
openRxiv
3 публикации, 0.24%
|
|
|
American Association for the Advancement of Science (AAAS)
3 публикации, 0.24%
|
|
|
SAGE
2 публикации, 0.16%
|
|
|
Autonomous Non-profit Organization Editorial Board of the journal Uspekhi Khimii
2 публикации, 0.16%
|
|
|
OOO Zhurnal "Mendeleevskie Soobshcheniya"
2 публикации, 0.16%
|
|
|
AIP Publishing
1 публикация, 0.08%
|
|
|
Bentham Science Publishers Ltd.
1 публикация, 0.08%
|
|
|
CSIRO Publishing
1 публикация, 0.08%
|
|
|
Pharmaceutical Society of Japan
1 публикация, 0.08%
|
|
|
The Society of Synthetic Organic Chemistry, Japan
1 публикация, 0.08%
|
|
|
Pharmaceutical Society of Korea
1 публикация, 0.08%
|
|
|
De Gruyter Brill
1 публикация, 0.08%
|
|
|
Proceedings of the National Academy of Sciences (PNAS)
1 публикация, 0.08%
|
|
|
Annual Reviews
1 публикация, 0.08%
|
|
|
50
100
150
200
250
300
350
400
450
|
- 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.
Войти с ORCID
Метрики
1.3k
Всего цитирований:
1270
Цитирований c 2025:
305
(24.04%)
Цитировать
ГОСТ |
RIS |
BibTex |
MLA
Цитировать
ГОСТ
Скопировать
Grimblat N. et al. Beyond DP4: an Improved Probability for the Stereochemical Assignment of Isomeric Compounds using Quantum Chemical Calculations of NMR Shifts // Journal of Organic Chemistry. 2015. Vol. 80. No. 24. pp. 12526-12534.
ГОСТ со всеми авторами (до 50)
Скопировать
Grimblat N., Zanardi M. M., Sarotti A. M. Beyond DP4: an Improved Probability for the Stereochemical Assignment of Isomeric Compounds using Quantum Chemical Calculations of NMR Shifts // Journal of Organic Chemistry. 2015. Vol. 80. No. 24. pp. 12526-12534.
Цитировать
RIS
Скопировать
TY - JOUR
DO - 10.1021/acs.joc.5b02396
UR - https://doi.org/10.1021/acs.joc.5b02396
TI - Beyond DP4: an Improved Probability for the Stereochemical Assignment of Isomeric Compounds using Quantum Chemical Calculations of NMR Shifts
T2 - Journal of Organic Chemistry
AU - Grimblat, Nicolás
AU - Zanardi, María M
AU - Sarotti, Ariel M.
PY - 2015
DA - 2015/12/10
PB - American Chemical Society (ACS)
SP - 12526-12534
IS - 24
VL - 80
PMID - 26580165
SN - 0022-3263
SN - 1520-6904
ER -
Цитировать
BibTex (до 50 авторов)
Скопировать
@article{2015_Grimblat,
author = {Nicolás Grimblat and María M Zanardi and Ariel M. Sarotti},
title = {Beyond DP4: an Improved Probability for the Stereochemical Assignment of Isomeric Compounds using Quantum Chemical Calculations of NMR Shifts},
journal = {Journal of Organic Chemistry},
year = {2015},
volume = {80},
publisher = {American Chemical Society (ACS)},
month = {dec},
url = {https://doi.org/10.1021/acs.joc.5b02396},
number = {24},
pages = {12526--12534},
doi = {10.1021/acs.joc.5b02396}
}
Цитировать
MLA
Скопировать
Grimblat, Nicolás, et al. “Beyond DP4: an Improved Probability for the Stereochemical Assignment of Isomeric Compounds using Quantum Chemical Calculations of NMR Shifts.” Journal of Organic Chemistry, vol. 80, no. 24, Dec. 2015, pp. 12526-12534. https://doi.org/10.1021/acs.joc.5b02396.
Ошибка в публикации?