Yirong Mo - RankMe

18 papers Journal 18

Year	Rank	Type	Title / Venue / Authors
2024	J	`jnl`	Mapping the correlations between bandgap, HOMO, and LUMO trends for meta substituted Zn-MOFs. J. Comput. Chem. Kyle I. Williamson, Daniel J. C. Herr, Yirong Mo
2024	J	`jnl`	Monovalent cation binding to model systems and the macrocyclic depsipeptide, emodepside. J. Comput. Chem. Govindan Subramanian, Kanika Manchanda, Yirong Mo, Rohit Y. Sathe, Prasad V. Bharatam
2023	J	`jnl`	The strength and selectivity of perfluorinated nano-hoops and buckybowls for anion binding and the nature of anion-π interactions. J. Comput. Chem. Dan Fan, Juan Du, Jing-Shuang Dang, Changwei Wang, Yirong Mo
2019	J	`jnl`	Astrophysical Sites that Can Produce Enantiomeric Amino Acids. Symmetry Michael Famiano, Richard Boyd, Toshitaka Kajino, Takashi Onaka, Yirong Mo
2019	J	`jnl`	Attraction between electrophilic caps: A counterintuitive case of noncovalent interactions. J. Comput. Chem. Changwei Wang, David Danovich, Sason Shaik, Wei Wu, Yirong Mo
2019	J	`jnl`	Editorial. J. Comput. Chem. Yirong Mo, Wei Wu, Zexing Cao
2019	J	`jnl`	Nine questions on energy decomposition analysis. J. Comput. Chem. 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
2019	J	`jnl`	Performance of the VBSCF method for pericyclic and π bond shift reactions. J. Comput. Chem. Huaiyu Zhang, Chen Zhou, Yirong Mo, Wei Wu
2018	J	`jnl`	Hydrogen- and Halogen-Bonds between Ions of like Charges: Are They Anti-Electrostatic in Nature? J. Comput. Chem. Changwei Wang, Yuzhuang Fu, Lina Zhang, David Danovich, Sason Shaik, Yirong Mo
2016	J	`jnl`	Combined QM(DFT)/MM molecular dynamics simulations of the deamination of cytosine by yeast cytosine deaminase (yCD). J. Comput. Chem. Xin Zhang, Yuan Zhao, Honggao Yan, Zexing Cao, Yirong Mo
2016	J	`jnl`	The origins of the directionality of noncovalent intermolecular interactions. J. Comput. Chem. Changwei Wang, Liangyu Guan, David Danovich, Sason Shaik, Yirong Mo
2012	J	`jnl`	Reply to comment on the paper "An efficient Algorithm for Energy Gradients and Orbital Optimization in Valence Bond Theory". J. Comput. Chem. Wei Wu, Yirong Mo
2009	J	`jnl`	An efficient algorithm for energy gradients and orbital optimization in valence bond theory. J. Comput. Chem. Lingchun Song, Jinshuai Song, Yirong Mo, Wei Wu
2009	J	`jnl`	Molecular dynamics simulations of the detoxification of paraoxon catalyzed by phosphotriesterase. J. Comput. Chem. Xin Zhang, Ruibo Wu, Lingchun Song, Yuchun Lin, Menghai Lin, Zexing Cao, Wei Wu, Yirong Mo
2007	J	`jnl`	How resonance assists hydrogen bonding interactions: An energy decomposition analysis. J. Comput. Chem. John Frederick Beck, Yirong Mo
2005	J	`jnl`	XMVB: A program for ab initio nonorthogonal valence bond computations. J. Comput. Chem. Lingchun Song, Yirong Mo, Qianer Zhang, Wei Wu
2000	J	`jnl`	Ab initio QM/MM simulations with a molecular orbital-valence bond (MOVB) method: application to an SN2 reaction in water. J. Comput. Chem. Yirong Mo, Jiali Gao
1999	J	`jnl`	General method for symmetry orbitals and tensors in electronic structure calculations. J. Comput. Chem. Taijin Zhou, Yirong Mo