![](https://dblp.uni-trier.de/img/logo.ua.320x120.png)
![](https://dblp.uni-trier.de/img/dropdown.dark.16x16.png)
![](https://dblp.uni-trier.de/img/peace.dark.16x16.png)
Остановите войну!
for scientists:
![search dblp search dblp](https://dblp.uni-trier.de/img/search.dark.16x16.png)
![search dblp](https://dblp.uni-trier.de/img/search.dark.16x16.png)
default search action
Yirong Mo
Person information
Refine list
![note](https://dblp.uni-trier.de/img/note-mark.dark.12x12.png)
refinements active!
zoomed in on ?? of ?? records
view refined list in
export refined list as
2020 – today
- 2024
- [j17]Kyle I. Williamson, Daniel J. C. Herr, Yirong Mo:
Mapping the correlations between bandgap, HOMO, and LUMO trends for meta substituted Zn-MOFs. J. Comput. Chem. 45(25, September): 2119-2127 (2024) - 2023
- [j16]Dan Fan, Juan Du, Jingshuang Dang, Changwei Wang
, Yirong Mo
:
The strength and selectivity of perfluorinated nano-hoops and buckybowls for anion binding and the nature of anion-π interactions. J. Comput. Chem. 44(3): 138-148 (2023)
2010 – 2019
- 2019
- [j15]Yirong Mo, Wei Wu, Zexing Cao:
Editorial. J. Comput. Chem. 40(9): 965 (2019) - [j14]Changwei Wang, David Danovich
, Sason Shaik
, Wei Wu, Yirong Mo:
Attraction between electrophilic caps: A counterintuitive case of noncovalent interactions. J. Comput. Chem. 40(9): 1015-1022 (2019) - [j13]Huaiyu Zhang, Chen Zhou, Yirong Mo, Wei Wu
:
Performance of the VBSCF method for pericyclic and π bond shift reactions. J. Comput. Chem. 40(10): 1123-1129 (2019) - [j12]Juan Andrés
, Paul W. Ayers
, Roberto Álvarez Boto
, Ramon Carbó-Dorca
, Henry Chermette, Jerzy Cioslowski, Julia Contreras-Garcia, David L. Cooper
, Gernot Frenking
, Carlo Gatti
, Farnaz Heidar-Zadeh
, Laurent Joubert, Ángel Martín Pendás, Eduard Matito, István Mayer, Alston J. Misquitta, Yirong Mo, Julien Pilmé
, Paul L. A. Popelier
, Martin Rahm
, Eloy Ramos-Cordoba
, Pedro Salvador
, W. H. Eugen Schwarz, Shant Shahbazian
, Bernard Silvi
, Miquel Solà
, Krzysztof Szalewicz, Vincent Tognetti, Frank Weinhold
, Émilie-Laure Zins:
Nine questions on energy decomposition analysis. J. Comput. Chem. 40(26): 2248-2283 (2019) - [j11]Michael Famiano
, Richard Boyd
, Toshitaka Kajino
, Takashi Onaka
, Yirong Mo
:
Astrophysical Sites that Can Produce Enantiomeric Amino Acids. Symmetry 11(1): 23 (2019) - 2018
- [j10]Changwei Wang, Yuzhuang Fu
, Lina Zhang
, David Danovich, Sason Shaik
, Yirong Mo
:
Hydrogen- and Halogen-Bonds between Ions of like Charges: Are They Anti-Electrostatic in Nature? J. Comput. Chem. 39(9): 481-487 (2018) - 2016
- [j9]Changwei Wang, Liangyu Guan, David Danovich, Sason Shaik, Yirong Mo:
The origins of the directionality of noncovalent intermolecular interactions#. J. Comput. Chem. 37(1): 34-45 (2016) - [j8]Xin Zhang
, Yuan Zhao, Honggao Yan, Zexing Cao, Yirong Mo:
Combined QM(DFT)/MM molecular dynamics simulations of the deamination of cytosine by yeast cytosine deaminase (yCD). J. Comput. Chem. 37(13): 1163-1174 (2016) - 2012
- [j7]Wei Wu, Yirong Mo:
Reply to comment on the paper "An efficient Algorithm for Energy Gradients and Orbital Optimization in Valence Bond Theory". J. Comput. Chem. 33(8): 914-915 (2012)
2000 – 2009
- 2009
- [j6]Lingchun Song, Jinshuai Song
, Yirong Mo, Wei Wu:
An efficient algorithm for energy gradients and orbital optimization in valence bond theory. J. Comput. Chem. 30(3): 399-406 (2009) - [j5]Xin Zhang
, Ruibo Wu, Lingchun Song, Yuchun Lin
, Menghai Lin, Zexing Cao, Wei Wu, Yirong Mo:
Molecular dynamics simulations of the detoxification of paraoxon catalyzed by phosphotriesterase. J. Comput. Chem. 30(15): 2388-2401 (2009) - 2007
- [j4]John Frederick Beck, Yirong Mo:
How resonance assists hydrogen bonding interactions: An energy decomposition analysis. J. Comput. Chem. 28(1): 455-466 (2007) - 2005
- [j3]Lingchun Song, Yirong Mo, Qianer Zhang, Wei Wu:
XMVB: A program for ab initio nonorthogonal valence bond computations. J. Comput. Chem. 26(5): 514-521 (2005) - 2000
- [j2]Yirong Mo, Jiali Gao:
Ab initio QM/MM simulations with a molecular orbital-valence bond (MOVB) method: application to an SN2 reaction in water. J. Comput. Chem. 21(16): 1458-1469 (2000)
1990 – 1999
- 1999
- [j1]Taijin Zhou, Yirong Mo:
General method for symmetry orbitals and tensors in electronic structure calculations. J. Comput. Chem. 20(3): 305-321 (1999)
Coauthor Index
![](https://dblp.uni-trier.de/img/cog.dark.24x24.png)
manage site settings
To protect your privacy, all features that rely on external API calls from your browser are turned off by default. You need to opt-in for them to become active. All settings here will be stored as cookies with your web browser. For more information see our F.A.Q.
Unpaywalled article links
Add open access links from to the list of external document links (if available).
Privacy notice: By enabling the option above, your browser will contact the API of unpaywall.org to load hyperlinks to open access articles. Although we do not have any reason to believe that your call will be tracked, we do not have any control over how the remote server uses your data. So please proceed with care and consider checking the Unpaywall privacy policy.
Archived links via Wayback Machine
For web page which are no longer available, try to retrieve content from the of the Internet Archive (if available).
Privacy notice: By enabling the option above, your browser will contact the API of archive.org to check for archived content of web pages that are no longer available. Although we do not have any reason to believe that your call will be tracked, we do not have any control over how the remote server uses your data. So please proceed with care and consider checking the Internet Archive privacy policy.
Reference lists
Add a list of references from ,
, and
to record detail pages.
load references from crossref.org and opencitations.net
Privacy notice: By enabling the option above, your browser will contact the APIs of crossref.org, opencitations.net, and semanticscholar.org to load article reference information. Although we do not have any reason to believe that your call will be tracked, we do not have any control over how the remote server uses your data. So please proceed with care and consider checking the Crossref privacy policy and the OpenCitations privacy policy, as well as the AI2 Privacy Policy covering Semantic Scholar.
Citation data
Add a list of citing articles from and
to record detail pages.
load citations from opencitations.net
Privacy notice: By enabling the option above, your browser will contact the API of opencitations.net and semanticscholar.org to load citation information. Although we do not have any reason to believe that your call will be tracked, we do not have any control over how the remote server uses your data. So please proceed with care and consider checking the OpenCitations privacy policy as well as the AI2 Privacy Policy covering Semantic Scholar.
OpenAlex data
Load additional information about publications from .
Privacy notice: By enabling the option above, your browser will contact the API of openalex.org to load additional information. Although we do not have any reason to believe that your call will be tracked, we do not have any control over how the remote server uses your data. So please proceed with care and consider checking the information given by OpenAlex.
last updated on 2024-08-18 00:33 CEST by the dblp team
all metadata released as open data under CC0 1.0 license
see also: Terms of Use | Privacy Policy | Imprint