Yirong Mo

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Jiali GaoShenzhen Bay Laboratory and University of MinnesotaCorreu electrònic verificat a jialigao.org
Yuchun LinUniversity of California, BerkeleyCorreu electrònic verificat a berkeley.edu
David DanovichInstitute of Chemistry, The Hebrew UniversityCorreu electrònic verificat a mail.huji.ac.il
Sason ShaikProfessor of Chemistry, Institute of Chemistry, The Hebrew University of JerusalemCorreu electrònic verificat a yfaat.ch.huji.ac.il
Judy I-Chia WuUniversity of HoustonCorreu electrònic verificat a central.uh.edu
Jinshuai SongZhengzhou UniversityCorreu electrònic verificat a zzu.edu.cn
Zhenhua ChenXiamen UniversityCorreu electrònic verificat a XMU.EDU.CN
Stephan SteinmannCNRS, Ecole Normale Supérieure de LyonCorreu electrònic verificat a ens-lyon.fr
Liangyu GuanThe Johns Hopkins UniversityCorreu electrònic verificat a jhu.edu
Ruibo Wu (巫瑞波)Sun Yat-sen UniversityCorreu electrònic verificat a mail.sysu.edu.cn
Peter JarowskiCorreu electrònic verificat a chemalive.com
Alessandro CembranAssistant Professor, University of Minnesota DuluthCorreu electrònic verificat a d.umn.edu
Peifeng SuXiamen universityCorreu electrònic verificat a xmu.edu.cn
Gellert MezeiWestern Michigan UniversityCorreu electrònic verificat a wmich.edu
Michael FamianoWestern Michigan UniversityCorreu electrònic verificat a wmich.edu
Aimin LiuLutcher Brown Distinguished Professor in BiochemistryCorreu electrònic verificat a utsa.edu
Hemali P. RathnayakeUniversity of North Carolina at GreensboroCorreu electrònic verificat a uncg.edu
Matthew D. WodrichSenior Scientist, Ecole Polytechnique Fédérale de Lausanne (EPFL)Correu electrònic verificat a epfl.ch
Basil AhmedPh.D of Chemistry, North Refineries Company, IraqCorreu electrònic verificat a wmich.edu
David M FergusonProfessor of Medicinal Chemistry University of MinnesotaCorreu electrònic verificat a umn.edu

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Yirong Mo

University of North Carolina at Greensboro

Correu electrònic verificat a uncg.edu - Pàgina d'inici

Theoretical and Computational Chemistry


Títol Ordena per cites Ordena per any Ordena per títol	Citada per Citada per	Any
Energy decomposition analysis of intermolecular interactions using a block-localized wave function approach Y Mo, J Gao, SD Peyerimhoff The Journal of Chemical Physics 112 (13), 5530-5538, 2000	440	2000
Theoretical analysis of electronic delocalization Y Mo, SD Peyerimhoff The Journal of chemical physics 109 (5), 1687-1697, 1998	355	1998
Electrostatic stress in catalysis: structure and mechanism of the enzyme orotidine monophosphate decarboxylase N Wu, Y Mo, J Gao, EF Pai Proceedings of the National Academy of Sciences 97 (5), 2017-2022, 2000	305	2000
Block-localized wavefunction (BLW) method at the density functional theory (DFT) level Y Mo, L Song, Y Lin The Journal of Physical Chemistry A 111 (34), 8291-8301, 2007	301	2007
Magnetic evidence for the aromaticity and antiaromaticity of charged fluorenyl, indenyl, and cyclopentadienyl systems H Jiao, PR Schleyer, Y Mo, MA McAllister, TT Tidwell Journal of the American Chemical Society 119 (30), 7075-7083, 1997	285	1997
On the nature of the halogen bond C Wang, D Danovich, Y Mo, S Shaik Journal of chemical theory and computation 10 (9), 3726-3737, 2014	279	2014
Energy decomposition analysis based on a block-localized wavefunction and multistate density functional theory Y Mo, P Bao, J Gao Physical Chemistry Chemical Physics 13 (15), 6760-6775, 2011	249	2011
XMVB: A program for ab initio nonorthogonal valence bond computations L Song, Y Mo, Q Zhang, W Wu Journal of computational chemistry 26 (5), 514-521, 2005	243	2005
The concept of protobranching and its many paradigm shifting implications for energy evaluations MD Wodrich, CS Wannere, Y Mo, PD Jarowski, KN Houk, PR Schleyer Chemistry–A European Journal 13 (27), 7731-7744, 2007	226	2007
Theoretical analysis of the rotational barrier of ethane Y Mo, J Gao Accounts of chemical research 40 (2), 113-119, 2007	226	2007
Computational evidence that hyperconjugative interactions are not responsible for the anomeric effect Y Mo Nature chemistry 2 (8), 666-671, 2010	213	2010
The magnitude of hyperconjugation in ethane: a perspective from ab initio valence bond theory Y Mo, W Wu, L Song, M Lin, Q Zhang, J Gao Angewandte Chemie-International Edition 43 (15), 1986-1990, 2004	178	2004
Ab initio QM/MM simulations with a molecular orbital‐valence bond (MOVB) method: application to an S_N2 reaction in water Y Mo, J Gao Journal of Computational Chemistry 21 (16), 1458-1469, 2000	178	2000
An energetic measure of aromaticity and antiaromaticity based on the Pauling–Wheland resonance energies Y Mo, PR Schleyer Chemistry–A European Journal 12 (7), 2009-2020, 2006	173	2006
A Simple Electrostatic Model for Trisilylamine: Theoretical Examinations of the n→σ* Negative Hyperconjugation, p_π→d_π Bonding, and Stereoelectronic Interaction Y Mo, Y Zhang, J Gao Journal of the American Chemical Society 121 (24), 5737-5742, 1999	156	1999
Cation− π interactions: An energy decomposition analysis and its implication in δ-opioid receptor− ligand binding Y Mo, G Subramanian, J Gao, DM Ferguson Journal of the American Chemical Society 124 (17), 4832-4837, 2002	154	2002
An ab initio molecular orbital− valence bond (MOVB) method for simulating chemical reactions in solution Y Mo, J Gao The Journal of Physical Chemistry A 104 (13), 3012-3020, 2000	146	2000
Block-localized density functional theory (BLDFT), diabatic coupling, and their use in valence bond theory for representing reactive potential energy surfaces A Cembran, L Song, Y Mo, J Gao Journal of chemical theory and computation 5 (10), 2702-2716, 2009	139	2009
Nine questions on energy decomposition analysis J Andrés, PW Ayers, RA Boto, R Carbó‐Dorca, H Chermette, J Cioslowski, ... Journal of Computational Chemistry 40 (26), 2248-2283, 2019	137	2019
Computer-aided drug design: lead discovery and optimization M Xiang, Y Cao, W Fan, L Chen, Y Mo Combinatorial chemistry & high throughput screening 15 (4), 328-337, 2012	136	2012

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