Yan Mo, Ph.D. - Publications

Affiliations: 
2006 Hong Kong University of Science and Technology, Clear Water Bay, New Territories, Hong Kong 
Area:
Physical Chemistry, General Biophysics

131 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2020 Hu W, Li P, Wang JN, Xue Y, Mo Y, Zheng J, Pan X, Shao Y, Mei Y. Accelerated Computation of Free Energy Profile at Ab Initio QM/MM Accuracy via a Semi-Empirical Reference-Potential. III. Gaussian Smoothing on Density-of-States. Journal of Chemical Theory and Computation. PMID 32975951 DOI: 10.1021/acs.jctc.0c00794  0.36
2020 Yu F, Zhang H, Zhao L, Sun Z, Li Y, Mo Y, Chen Y. A flexible Cellulose/Methylcellulose gel polymer electrolyte endowing superior Li conducting property for lithium ion battery. Carbohydrate Polymers. 246: 116622. PMID 32747261 DOI: 10.1016/j.carbpol.2020.116622  0.56
2020 Zhang H, Yuan R, Wu W, Mo Y. Two Push-Pull Channels Enhance the Dinitrogen Activation by Borylene Compounds. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 31997407 DOI: 10.1002/chem.202000058  0.56
2019 Fan Z, Wei S, Zhu Z, Yan Y, Mo Y, Yan L, Ma D. Globally optimal first-order design of zoom systems with fixed foci as well as high zoom ratio. Optics Express. 27: 38180-38190. PMID 31878589 DOI: 10.1364/OE.381116  0.48
2019 Zhang H, Yuan R, Wu W, Mo Y. Two Push-Pull Channels Enhance the Dinitrogen Activation by Borylene Compounds. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 31805203 DOI: 10.1002/chem.201904724  0.56
2019 Fan Z, Wei S, Zhu Z, Mo Y, Yan Y, Ma D. Automatically retrieving an initial design of a double-sided telecentric zoom lens based on a particle swarm optimization. Applied Optics. 58: 7379-7386. PMID 31674383 DOI: 10.1364/AO.58.007379  0.48
2019 Yan X, Zou K, Cao J, Li X, Zhao Z, Li Z, Wu A, Liang W, Mo Y, Jiang Y. Single-handed supramolecular double helix of homochiral bis(N-amidothiourea) supported by double crossed C-I···S halogen bonds. Nature Communications. 10: 3610. PMID 31399581 DOI: 10.1038/s41467-019-11539-5  0.32
2019 Lee JS, Mo Y, Gan H, Burgess RJ, Baker DJ, van Deursen JM, Zhang Z. Pak2 kinase promotes cellular senescence and organismal aging. Proceedings of the National Academy of Sciences of the United States of America. PMID 31209047 DOI: 10.1073/pnas.1903847116  0.32
2019 Smith CJ, Huff AK, Zhang H, Mo Y, Leopold KR. A strong dependence of the CH internal rotation barrier on conformation in thioacetic acid: Microwave measurements and an energy decomposition analysis. The Journal of Chemical Physics. 150: 134302. PMID 30954056 DOI: 10.1063/1.5087718  0.56
2019 Mo Y, Lin X, Wu W. Agostic Interactions in Early Transition Metal Complexes: Roles of Hyperconjugation, Dispersion and Steric Effect. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 30883975 DOI: 10.1002/chem.201900436  0.52
2018 Zhang H, Zhou C, Mo Y, Wu W. Performance of the VBSCF method for pericyclic and π bond shift reactions. Journal of Computational Chemistry. PMID 30592066 DOI: 10.1002/jcc.25729  0.56
2018 Lin X, Jiang X, Wu W, Mo Y. Induction, Resonance and Secondary Electrostatic Interaction on Hydrogen Bonding in the Association of Amides and Imides. The Journal of Organic Chemistry. PMID 30269493 DOI: 10.1021/acs.joc.8b02247  0.52
2018 Lin X, Wu W, Wiberg KB, Mo Y. The Role of Intramolecular Electron Delocalization in the C-X Bond Strength in CHX (n=0-4, X= F, Cl, CN, OCH). The Journal of Physical Chemistry. A. PMID 30183285 DOI: 10.1021/acs.jpca.8b07427  0.52
2018 Xia Y, Mo Y, Yang Q, Yu Y, Jiang M, Wei S, Lu D, Wu H, Lu G, Zou Y, Zhang Z, Wei X. Iodoacetic acid disrupts the thyroid endocrine system in vitro and in vivo. Environmental Science & Technology. PMID 29812931 DOI: 10.1021/acs.est.8b01802  0.48
2017 Lin X, Wu W, Mo Y. A Direct Proof of the Resonance-Impaired Hydrogen Bond (RIHB) Concept. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 29206309 DOI: 10.1002/chem.201705424  0.52
2017 Jiang X, Zhang H, Wu W, Mo Y. A Critical Check for the Role of Resonance in Intramolecular Hydrogen Bonding. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 29106781 DOI: 10.1002/chem.201703952  0.56
2017 Lin X, Zhang H, Jiang X, Wu W, Mo Y. The Origin of the Non-Additivity in Resonance-Assisted Hydrogen Bond (RAHB) Systems. The Journal of Physical Chemistry. A. PMID 29048895 DOI: 10.1021/acs.jpca.7b09425  0.56
2017 Li Y, Wei QF, Meng DH, Pan XN, Mo Y, Yao LP, Jing LF, Zhao D, Shen KY, Xu J. Treatment outcomes and associated factors among extremely preterm infants in a major children hospital in Guangxi, China. Pediatrics and Neonatology. PMID 29037512 DOI: 10.1016/j.pedneo.2017.09.008  0.32
2017 Cao J, Yan X, He W, Li X, Li Z, Mo Y, Liu M, Jiang YB. C-I•••π Halogen Bonding Driven Supramolecular Helix of Bilateral N-Amidothioureas Bearing β-Turns. Journal of the American Chemical Society. PMID 28135075 DOI: 10.1021/jacs.6b13171  0.32
2016 Mo Y, Zhang H, Su P, Jarowski PD, Wu W. Intramolecular multi-bond strain: the unrecognized side of the dichotomy of conjugated systems. Chemical Science. 7: 5872-5878. PMID 30034728 DOI: 10.1039/c6sc00454g  0.56
2016 Mo YL, Zheng JX, Yang RP, Liu CM, Gu XR, Zhang X, Wei CH. [Physiological responses and tolerance to drought stress of different watermelon genotypes.] Ying Yong Sheng Tai Xue Bao = the Journal of Applied Ecology. 27: 1942-1952. PMID 29737703 DOI: 10.13287/j.1001-9332.201606.034  0.48
2016 Ablikim M, Achasov MN, Ahmed S, Ai XC, Albayrak O, Albrecht M, Ambrose DJ, Amoroso A, An FF, An Q, Bai JZ, Baldini Ferroli R, Ban Y, Bennett DW, Bennett JV, ... ... Mo YJ, et al. Observation of an Anomalous Line Shape of the η^{'}π^{+}π^{-} Mass Spectrum near the pp[over ¯] Mass Threshold in J/ψ→γη^{'}π^{+}π^{-}. Physical Review Letters. 117: 042002. PMID 27494467 DOI: 10.1103/PhysRevLett.117.042002  0.32
2016 Ablikim M, Achasov MN, Ai XC, Albayrak O, Albrecht M, Ambrose DJ, Amoroso A, An FF, An Q, Bai JZ, Baldini Ferroli R, Ban Y, Bennett DW, Bennett JV, Bertani M, ... ... Mo YJ, et al. Observation of h_{c} Radiative Decay h_{c}→γη^{'} and Evidence for h_{c}→γη. Physical Review Letters. 116: 251802. PMID 27391715 DOI: 10.1103/PhysRevLett.116.251802  0.32
2016 Zhang H, Wu W, Ahmed BM, Mezei G, Mo Y. Adjacent Lone Pair (ALP) Effect: A Computational Approach for Its Origin. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 27139318 DOI: 10.1002/chem.201600509  0.56
2016 Weng H, Yan Y, Jin YH, Meng XY, Mo YY, Zeng XT. Matrix metalloproteinase gene polymorphisms and periodontitis susceptibility: a meta-analysis involving 6,162 individuals. Scientific Reports. 6: 24812. PMID 27095260 DOI: 10.1038/srep24812  0.48
2016 Chang X, Zhang Y, Weng X, Su P, Wu W, Mo Y. Red-Shifting versus Blue-Shifting Hydrogen Bonds: A Perspective from Ab Initio Valence Bond Theory. The Journal of Physical Chemistry. A. PMID 27074500 DOI: 10.1021/acs.jpca.6b02245  0.96
2016 Seitz CG, Zhang H, Mo Y, Karty JM. Why Do Enolate Anions Favor O-Alkylation Over C-Alkylation in the Gas Phase? The Roles of Resonance and Inductive Effects in the Gas-Phase SN2 Reaction Between the Acetaldehyde Enolate Anion and Methyl Fluoride. The Journal of Organic Chemistry. PMID 27011344 DOI: 10.1021/acs.joc.6b00351  0.96
2016 Zhang H, Jiang X, Wu W, Mo Y. Electron conjugation versus π-π repulsion in substituted benzenes: why the carbon-nitrogen bond in nitrobenzene is longer than in aniline. Physical Chemistry Chemical Physics : Pccp. PMID 26852720 DOI: 10.1039/c6cp00471g  0.56
2016 Ahmed BM, Zhang H, Mo Y, Mezei G. Drastic deprotonation reactivity difference of 3- and 5-alkylpyrazole isomers, their I2-catalyzed thermal isomerization, and telescoping synthesis of 3,5-dialkylpyrazoles: the "adjacent lone pair effect" demystified. The Journal of Organic Chemistry. PMID 26814558 DOI: 10.1021/acs.joc.5b02746  0.96
2016 Zhang X, Zhao Y, Yan H, Cao Z, Mo Y. Combined QM(DFT)/MM molecular dynamics simulations of the deamination of cytosine by yeast cytosine deaminase (yCD). Journal of Computational Chemistry. PMID 26813441 DOI: 10.1002/jcc.24306  0.96
2015 Huang Y, Pan X, Mo Y, Ma Q. Brain potentials indicate the effect of other observers' emotions on perceptions of facial attractiveness. Neuroscience Letters. PMID 26601630 DOI: 10.1016/j.neulet.2015.11.021  0.36
2015 Ablikim M, Achasov MN, Ai XC, Albayrak O, Albrecht M, Ambrose DJ, Amoroso A, An FF, An Q, Bai JZ, Ferroli RB, Ban Y, Bennett DW, Bennett JV, Bertani M, ... ... Mo YJ, et al. Observation of a Neutral Charmoniumlike State Z_{c}(4025)^{0} in e^{+}e^{-}→(D^{*}D[over ¯]^{*})^{0}π^{0}. Physical Review Letters. 115: 182002. PMID 26565461 DOI: 10.1103/PhysRevLett.115.182002  0.32
2015 Ablikim M, Achasov MN, Ai XC, Albayrak O, Albrecht M, Ambrose DJ, Amoroso A, An FF, An Q, Bai JZ, Ferroli RB, Ban Y, Bennett DW, Bennett JV, Bertani M, ... ... Mo YJ, et al. Observation and Spin-Parity Determination of the X(1835) in J/ψ→γK_{S}^{0}K_{S}^{0}η. Physical Review Letters. 115: 091803. PMID 26371642 DOI: 10.1103/PhysRevLett.115.091803  0.44
2015 Lynch K, Maloney A, Sowell A, Wang C, Mo Y, Karty JM. Why is sulfuric acid a much stronger acid than ethanol? Determination of the contributions by inductive/field effects and electron-delocalization effects. Physical Chemistry Chemical Physics : Pccp. 17: 138-44. PMID 25316069 DOI: 10.1039/c4cp04110k  0.96
2015 Wang C, Mo Y, Wagner JP, Schreiner PR, Jemmis ED, Danovich D, Shaik S. The self-association of graphane is driven by London dispersion and enhanced orbital interactions Journal of Chemical Theory and Computation. 11: 1621-1630. DOI: 10.1021/acs.jctc.5b00075  0.96
2015 Chen Z, Ying F, Chen X, Song J, Su P, Song L, Mo Y, Zhang Q, Wu W. XMVB 2.0: A new version of Xiamen Valence Bond program International Journal of Quantum Chemistry. 115: 731-737. DOI: 10.1002/qua.24855  0.96
2015 Wang C, Guan L, Danovich D, Shaik S, Mo Y. The origins of the directionality of noncovalent intermolecular interactions# Journal of Computational Chemistry. DOI: 10.1002/jcc.23946  0.96
2014 Mo Y, Ahmed BM, Guan L, Karty J, Mezei G. Deprotonation of methyl-substituted, five-membered aromatic molecules: a surprising case of mixed conjugation, rehybridization, and induction contributions. Organic Letters. 16: 4680-3. PMID 25156066 DOI: 10.1021/ol502387a  0.96
2014 Mo Y, Wang C, Guan L, Braïda B, Hiberty PC, Wu W. On the nature of blueshifting hydrogen bonds. Chemistry (Weinheim An Der Bergstrasse, Germany). 20: 8444-52. PMID 24862363 DOI: 10.1002/chem.201402189  0.96
2014 Ling S, Deng D, Mo Y, Zhang X, Guan X, Wei Q. Correlations between CT perfusion parameters and vascular endothelial growth factor expression and microvessel density in implanted VX2 lung tumors. Cell Biochemistry and Biophysics. 70: 629-33. PMID 24777810 DOI: 10.1007/s12013-014-9966-8  0.48
2014 Guan L, Mo Y. Electron transfer in pnicogen bonds. The Journal of Physical Chemistry. A. 118: 8911-21. PMID 24588109 DOI: 10.1021/jp500775m  0.96
2014 Wang C, Ying F, Wu W, Mo Y. How solvent influences the anomeric effect: roles of hyperconjugative versus steric interactions on the conformational preference. The Journal of Organic Chemistry. 79: 1571-81. PMID 24456135 DOI: 10.1021/jo402306e  0.96
2014 Chen Z, Corminboeuf C, Mo Y. Direct evaluation of the hyperconjugative interactions in 1,1,1-trihaloethane (CH3CX3, X = F, Cl, and Br). The Journal of Physical Chemistry. A. 118: 5743-7. PMID 24041308 DOI: 10.1021/jp403587s  0.96
2014 Baek G, Pandurangan P, Ko E, Mo Y, Lee D. Redox-active gold nanoclusters immobilized ZnO nanorod electrodes for electrochemical sensing applications Rsc Advances. 4: 10766-10769. DOI: 10.1039/c4ra00256c  0.96
2014 Fernando IR, Mo Y, Mezei G. Metal-binding studies of linear rigid-axle [2]pseudorotaxanes with in situ generated anionic metal halide complexes Crystengcomm. 16: 7320-7333. DOI: 10.1039/c4ce00789a  0.96
2014 Wang C, Danovich D, Mo Y, Shaik S. On the nature of the halogen bond Journal of Chemical Theory and Computation. 10: 3726-3737. DOI: 10.1021/ct500422t  0.96
2014 Mo Y. The Block-Localized Wavefunction (BLW) Perspective of Chemical Bonding The Chemical Bond: Fundamental Aspects of Chemical Bonding. 199-232. DOI: 10.1002/9783527664696.ch6  0.96
2013 Chen Z, Mo Y. Electron Transfer in Electrophilic Aromatic Nitration and Nitrosation: Computational Evidence for the Marcus Inverted Region. Journal of Chemical Theory and Computation. 9: 4428-35. PMID 26589160 DOI: 10.1021/ct400618k  0.96
2013 Mackenzie RB, Timp BA, Mo Y, Leopold KR. Effects of a remote binding partner on the electric field and electric field gradient at an atom in a weakly bound trimer. The Journal of Chemical Physics. 139: 034320. PMID 23883040 DOI: 10.1063/1.4811198  0.96
2013 Ruan F, Tan AJ, Man TF, Li H, Mo YL, Lin YX, Deng XL. Gastroenteritis outbreaks caused by Norovirus genotype II.7 in a college in China (Zhuhai, Guangdong) in 2011. Foodborne Pathogens and Disease. 10: 856-60. PMID 23841656 DOI: 10.1089/fpd.2013.1519  0.32
2013 Li S, Mo Y. Research and optimization of virtual scene roaming implementation in electronic image processing Lecture Notes in Electrical Engineering. 178: 463-468. DOI: 10.1007/978-3-642-31528-2_73  0.32
2012 Mo Y. Can QTAIM topological parameters be a measure of hydrogen bonding strength? The Journal of Physical Chemistry. A. 116: 5240-6. PMID 22574938 DOI: 10.1021/jp3029769  0.96
2012 Jia JF, Wu HS, Mo Y. The generalized block-localized wavefunction method: a case study on the conformational preference and C-O rotational barrier of formic acid. The Journal of Chemical Physics. 136: 144315. PMID 22502526 DOI: 10.1063/1.3702630  0.36
2012 Li S, Mo Y. Design and simulation on high speed FFT processor in radar signal processing Advanced Materials Research. 461: 333-337. DOI: 10.4028/www.scientific.net/AMR.461.333  0.32
2012 Wu JIC, Mo Y, Evangelista FA, Von Ragué Schleyer P. Is cyclobutadiene really highly destabilized by antiaromaticity? Chemical Communications. 48: 8437-8439. DOI: 10.1039/c2cc33521b  0.96
2012 Wu W, Mo Y. Reply to comment on the paper "an efficient Algorithm for Energy Gradients and Orbital Optimization in Valence Bond Theory" Journal of Computational Chemistry. 33: 914-915. DOI: 10.1002/jcc.22923  0.96
2012 Rawlings RE, McKerlie AK, Bates DJ, Mo Y, Karty JM. Origin of the S N2 benzylic effect: Contributions by π delocalization and field/inductive effects European Journal of Organic Chemistry. 5991-6004. DOI: 10.1002/ejoc.201200880  0.96
2011 Liu Z, Zhou C, Zheng B, Qian L, Mo Y, Luo F, Shi Y, Choi MM, Xiao D. In situ synthesis of gold nanoparticles on porous polyacrylonitrile nanofibers for sensing applications. The Analyst. 136: 4545-51. PMID 21946652 DOI: 10.1039/c1an15330g  0.44
2011 Wang C, Ying F, Wu W, Mo Y. Sensing or no sensing: can the anomeric effect be probed by a sensing molecule? Journal of the American Chemical Society. 133: 13731-6. PMID 21793584 DOI: 10.1021/ja205613x  0.96
2011 Steinmann SN, Mo Y, Corminboeuf C. How do electron localization functions describe π-electron delocalization? Physical Chemistry Chemical Physics : Pccp. 13: 20584-92. PMID 21660323 DOI: 10.1039/c1cp21055f  0.56
2011 Chen L, Lu L, Mo Y, Xu Z, Xie S, Yuan H, Xiao D, Choi MM. Electrogenerated chemiluminescence of anatase TiO₂ nanotubes film. Talanta. 85: 56-62. PMID 21645669 DOI: 10.1016/j.talanta.2011.03.011  0.44
2011 Steinmann SN, Corminboeuf C, Wu W, Mo Y. Dispersion-corrected energy decomposition analysis for intermolecular interactions based on the BLW and dDXDM methods. The Journal of Physical Chemistry. A. 115: 5467-77. PMID 21557586 DOI: 10.1021/jp202560d  0.56
2011 Steinmann SN, Vogel P, Mo Y, Corminboeuf C. The norbornene mystery revealed. Chemical Communications (Cambridge, England). 47: 227-9. PMID 20577683 DOI: 10.1039/c0cc00601g  0.56
2011 Mo Y. Rotational barriers in alkanes Wiley Interdisciplinary Reviews: Computational Molecular Science. 1: 164-171. DOI: 10.1002/wcms.22  0.96
2010 Li H, Zhao L, Lu G, Mo Y, Wang ZX. Insight into the relative reactivity of "frustrated Lewis pairs" and stable carbenes in activating H2 and CH4: a comparative computational study. Physical Chemistry Chemical Physics : Pccp. 12: 5268-75. PMID 21491652  0.32
2010 Zheng X, Chen G, Mo Y, Koo S, Tian H, Yam C, Yan Y. Time-dependent density functional theory for quantum transport. The Journal of Chemical Physics. 133: 114101. PMID 20866120 DOI: 10.1063/1.3475566  0.48
2010 Mo Y. Computational evidence that hyperconjugative interactions are not responsible for the anomeric effect. Nature Chemistry. 2: 666-71. PMID 20651730 DOI: 10.1038/nchem.721  0.96
2010 Mo Y. A critical analysis on the rotation barriers in butane. The Journal of Organic Chemistry. 75: 2733-6. PMID 20232841 DOI: 10.1021/jo1001164  0.96
2010 Shi Q, Mo Y. Research on calculation of average temperature of friction plate surface of mini car clutch Icsps 2010 - Proceedings of the 2010 2nd International Conference On Signal Processing Systems. 3. DOI: 10.1109/ICSPS.2010.5555737  0.96
2010 Fersner A, Karty JM, Mo Y. Why are esters and amides weaker carbon acids than ketones and acid fluorides? Contributions by resonance and inductive effects (Journal of Organic Chemistry (2009) 74, (7245) DOI: 10.1021/jo901225t) Journal of Organic Chemistry. 75: 522. DOI: 10.1021/jo902062h  0.96
2010 Mo Y, Hiberty PC, von Ragué Schleyer P. How to properly compute the resonance energy within the ab initio valence bond theory: A response to the ZHJVL paper Theoretical Chemistry Accounts. 127: 27-38. DOI: 10.1007/s00214-010-0794-7  0.96
2009 Mo Y, Zheng X, Chen G, Yan Y. Transient electronic dynamics of noninteracting open systems beyond linear response. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 21: 355301. PMID 21828633 DOI: 10.1088/0953-8984/21/35/355301  0.48
2009 Steinmann SN, Jana DF, Wu JI, Schleyer Pv, Mo Y, Corminboeuf C. Direct assessment of electron delocalization using NMR chemical shifts. Angewandte Chemie (International Ed. in English). 48: 9828-33. PMID 19950165 DOI: 10.1002/anie.200905390  0.56
2009 Fersner A, Karty JM, Mo Y. Why are esters and amides weaker carbon acids than ketones and Acid fluorides? Contributions by resonance and inductive effects. The Journal of Organic Chemistry. 74: 7245-53. PMID 19736922 DOI: 10.1021/jo901225t  0.96
2009 Wei H, Hrovat DA, Mo Y, Hoffmann R, Borden WT. The contributions of through-bond interactions to the singlet-triplet energy difference in 1,3-dehydrobenzene. The Journal of Physical Chemistry. A. 113: 10351-8. PMID 19711935 DOI: 10.1021/jp905222f  0.96
2009 Wu W, Ma B, I-Chia Wu J, Schleyer Pv, Mo Y. Is cyclopropane really the sigma-aromatic paradigm? Chemistry (Weinheim An Der Bergstrasse, Germany). 15: 9730-6. PMID 19562784 DOI: 10.1002/chem.200900586  0.52
2009 Gao S, Wu W, Mo Y. The B-H...H-P dihydrogen bonding in ion pair complexes [(CF(3))(3)BH(-)][HPH(3-n)(Me)(n)(+)] (n = 0-3) and its implication in H(2) elimination and activation reactions. The Journal of Physical Chemistry. A. 113: 8108-17. PMID 19555090 DOI: 10.1021/jp903059w  0.52
2009 Mo Y. The resonance energy of benzene: a revisit. The Journal of Physical Chemistry. A. 113: 5163-9. PMID 19323538 DOI: 10.1021/jp808941h  0.96
2008 Cao Z, Mo Y. Computational characterization of the elusive C-cluster of carbon monoxide dehydrogenase Journal of Theoretical and Computational Chemistry. 7: 473-484. DOI: 10.1142/S0219633608003903  0.96
2007 Mo Y. Two-state model based on the block-localized wave function method. The Journal of Chemical Physics. 126: 224104. PMID 17581041 DOI: 10.1063/1.2746026  0.96
2007 Mo Y, Gao J. Theoretical analysis of the rotational barrier of ethane. Accounts of Chemical Research. 40: 113-9. PMID 17309192 DOI: 10.1021/ar068073w  0.96
2007 Beck JF, Mo Y. How resonance assists hydrogen bonding interactions: an energy decomposition analysis. Journal of Computational Chemistry. 28: 455-66. PMID 17143867 DOI: 10.1002/jcc.20523  0.96
2006 Brauer CS, Craddock MB, Kilian J, Grumstrup EM, Orilall MC, Mo Y, Gao J, Leopold KR. Amine-hydrogen halide complexes: experimental electric dipole moments and a theoretical decomposition of dipole moments and binding energies. The Journal of Physical Chemistry. A. 110: 10025-34. PMID 16913676 DOI: 10.1021/jp062101a  0.96
2006 Mo Y. Probing the nature of hydrogen bonds in DNA base pairs. Journal of Molecular Modeling. 12: 665-72. PMID 16862447 DOI: 10.1007/s00894-005-0021-y  0.96
2006 Han P, Xu RX, Li B, Xu J, Cui P, Mo Y, Yan Y. Kinetics and thermodynamics of electron transfer in Debye solvents: an analytical and nonperturbative reduced density matrix theory. The Journal of Physical Chemistry. B. 110: 11438-43. PMID 16771417 DOI: 10.1021/jp062133y  0.48
2006 Mo Y, Gao J. Polarization and charge-transfer effects in aqueous solution via ab initio QM/MM simulations. The Journal of Physical Chemistry. B. 110: 2976-80. PMID 16494296 DOI: 10.1021/jp057017u  0.96
2006 Mo Y. Why is the linking C-C bond in tetrahedranyltetrahedrane so short? Organic Letters. 8: 535-8. PMID 16435878 DOI: 10.1021/ol052921q  0.96
2006 Mo Y. Intramolecular electron transfer: Computational study based on the orbital deletion procedure (ODP) Current Organic Chemistry. 10: 779-790. DOI: 10.2174/138527206776818946  0.96
2006 Mo Y. Probing the nature of hydrogen bonds in DNA base pairs Journal of Molecular Modeling. 12: 221-228. DOI: 10.1016/S1001-0521(06)60043-0  0.96
2005 Dworkin A, Naumann R, Seigfred C, Karty JM, Mo Y. Y-aromaticity: why is the trimethylenemethane dication more stable than the butadienyl dication? The Journal of Organic Chemistry. 70: 7605-16. PMID 16149789 DOI: 10.1021/jo0508090  0.96
2005 Zhou T, Mo Y, Zhou Z, Tsai K. Density functional study on dihydrogen activation at the H cluster in Fe-only hydrogenases. Inorganic Chemistry. 44: 4941-6. PMID 15998021 DOI: 10.1021/ic0484699  0.32
2005 Mo Y, Xu RX, Cui P, Yan Y. Correlation and response functions with non-Markovian dissipation: a reduced Liouville-space theory. The Journal of Chemical Physics. 122: 84115. PMID 15836028 DOI: 10.1063/1.1853353  0.48
2005 Xu RX, Cui P, Li XQ, Mo Y, Yan Y. Exact quantum master equation via the calculus on path integrals. The Journal of Chemical Physics. 122: 41103. PMID 15740228 DOI: 10.1063/1.1850899  0.48
2004 Mo Y. Resonance effect in the allyl cation and anion: a revisit. The Journal of Organic Chemistry. 69: 5563-7. PMID 15307724 DOI: 10.1021/jo049822v  0.96
2004 Zhou T, Mo Y, Liu A, Zhou Z, Tsai KR. Enzymatic mechanism of Fe-only hydrogenase: density functional study on H-H making/breaking at the diiron cluster with concerted proton and electron transfers. Inorganic Chemistry. 43: 923-30. PMID 14753812 DOI: 10.1021/ic0342301  0.32
2004 Yan P, Mo Y. Using independent component analysis for electrical impedance tomography Proceedings of Spie - the International Society For Optical Engineering. 5298: 447-454. DOI: 10.1117/12.525632  0.32
2004 Wang Q, Mo Y. Choice of wavelet base in JPEG2000 Jisuanji Gongcheng/Computer Engineering. 30: 138.  0.32
2004 Mo Y, Xiao D. Estimates of hybrid states and parameters using qualitative signal data Qinghua Daxue Xuebao/Journal of Tsinghua University. 44: 1356-1359.  0.44
2003 Peng Y, Mo Y. The selection of Tikhonov regularization parameter in dynamic electrical impedance imaging Sheng Wu Yi Xue Gong Cheng Xue Za Zhi = Journal of Biomedical Engineering = Shengwu Yixue Gongchengxue Zazhi. 20: 571-573. PMID 14716847  0.32
2003 Hou W, Mo Y. Image reconstruction in electrical impedance tomography based on genetic algorithm Sheng Wu Yi Xue Gong Cheng Xue Za Zhi = Journal of Biomedical Engineering = Shengwu Yixue Gongchengxue Zazhi. 20: 107-110. PMID 12744177  0.32
2003 Wang M, Mo Y. Face recognition method based on independent component analysis and BP neural network Proceedings of Spie - the International Society For Optical Engineering. 5267: 214-219. DOI: 10.1117/12.516092  0.32
2003 Mo Y. Geometrical optimization for strictly localized structures Journal of Chemical Physics. 119: 1300-1306. DOI: 10.1063/1.1580094  0.96
2002 Mo Y, Subramanian G, Gao J, Ferguson DM. Cation-pi interactions: an energy decomposition analysis and its implication in delta-opioid receptor-ligand binding. Journal of the American Chemical Society. 124: 4832-7. PMID 11971733 DOI: 10.1021/ja0174433  0.96
2002 Zhang Z, Mo Y. Image watermarking in wavelet transform domain Jisuanji Gongcheng/Computer Engineering. 28: 70.  0.32
2002 Mo Y, Xiao D. Overview of hybrid dynamic system and its application Kongzhi Lilun Yu Yingyong/Control Theory and Applications. 19: 1.  0.44
2002 Hou W, Mo Y. New image reconstruction method for electrical impedance tomography based on BP neural network Guangxue Xuebao/Acta Optica Sinica. 22: 1475-1478.  0.32
2001 Wang Q, Mo Y. Retrieve based on image content using DC-image Proceedings of Spie - the International Society For Optical Engineering. 4551: 165-170. DOI: 10.1117/12.442903  0.32
2001 Zhang Z, Mo Y. Embedding strategy of image watermarking in wavelet transform domain Proceedings of Spie - the International Society For Optical Engineering. 4551: 127-131. DOI: 10.1117/12.442900  0.32
2001 Meng S, Mo Y. New second order difference algorithm for image segmentation based on cellular neural networks (CNNs) Proceedings of Spie - the International Society For Optical Engineering. 4550: 345-349. DOI: 10.1117/12.441485  0.32
2001 Mo Y, Gao J. Polarization and charge-transfer effects in Lewis acid-base complexes Journal of Physical Chemistry A. 105: 6530-6536. DOI: 10.1021/jp010348w  0.96
2001 Hu H, Mo Y. Construction of biorthogonal wavelet based on human visual system Guangxue Xuebao/Acta Optica Sinica. 21: 846-849.  0.32
2001 Hou W, Mo Y. New regularized image reconstruction for electrical impedance tomography Proceedings of Spie - the International Society For Optical Engineering. 4552: 286-291.  0.32
2000 Hou W, Mo Y. Very low bit-rate video coding using motion-compensated 3-D wavelet transform International Conference On Communication Technology Proceedings, Icct. 2: 1169-1172. DOI: 10.1109/ICCT.2000.890881  0.32
2000 Mo Y, Gao J. Ab Initio QM/MM Simulations with a Molecular Orbital-Valence Bond (MOVB) Method: Application to an SN2 Reaction in Water Journal of Computational Chemistry. 21: 1458-1469.  0.96
2000 Mo Y, Gao J. An ab initio molecular orbital-valence bond (MOVB) method for simulating chemical reactions in solution Journal of Physical Chemistry A. 104: 3012-3020.  0.96
1999 Mo Y, Zhang Y, Gao J. A simple electrostatic model for trisilylamine: Theoretical examinations of the n→σ* negative hyperconjugation, p(π)→d(π) bonding, and stereoelectronic interaction Journal of the American Chemical Society. 121: 5737-5742. DOI: 10.1021/ja9904742  0.96
1999 Zhou T, Mo Y. A new theory for symmetry orbital and tensor (II) - Symmetric reduction of molecular integrals and self-consistent field calculations Science in China, Series B: Chemistry. 42: 40-42.  0.96
1999 Mo Y, Peyerimhoff SD. Theoretical analysis of the internal rotation in aminoborane and borylphosphine Theoretical Chemistry Accounts. 101: 311-318.  0.96
1999 Zhou T, Mo Y. General method for symmetry orbitals and tensors in electronic structure calculations Journal of Computational Chemistry. 20: 305-321.  0.96
1998 Mo Y, Peyerimhoff SD. Theoretical analysis of electronic delocalization Journal of Chemical Physics. 109: 1687-1697. DOI: 10.1063/1.476742  0.96
1998 Shu C, Mo Y. Morphological Thinning Based on Image's Edges International Conference On Communication Technology Proceedings, Icct. 1.  0.32
1998 Mo Y, Xia Y, Wu W. A nucleation mechanism for diamond film deposited on alumina substrates by microwave plasma CVD Journal of Crystal Growth. 191: 459-465.  0.52
1998 Mo Y, Zou L, Zhao Y. Tribological principle of wear - Self - Compensation Run Hua Yu Mi Feng/Lubrication Engineering. 32-34.  0.48
1997 Li S, Guo Y, Mo Y. Studies on epidemic hemorrhagic fever among rats in Jianghan Plian, Hubei Province, China Zhonghua Yu Fang Yi Xue Za Zhi [Chinese Journal of Preventive Medicine]. 31: 137-139. PMID 9812588  0.32
1997 Jiao H, Von Ragué Schleyer P, Mo Y, McAllister MA, Tidwell TT. Magnetic evidence for the aromaticity and antiaromaticity of charged fluorenyl, indenyl, and cyclopentadienyl systems Journal of the American Chemical Society. 119: 7075-7083. DOI: 10.1021/ja970380x  0.96
1996 Mo Y, Lin Z. Theoretical study of conjugation, hyperconjugation, and steric effect in B2D4 (D=H, F, OH, NH2, and CH3) Journal of Chemical Physics. 105: 1046-1051.  0.96
1996 Guo Y, Li S, Mo Y. Rearrangement and selection hypothesis of learning and memory Acta Academiae Medicinae Hubei. 17: 225.  0.32
1995 Mo Y, Zhang Q. Model to study delocalization Journal of the Chemical Society, Faraday Transactions. 91: 241-243. DOI: 10.1039/FT9959100241  0.96
1995 Mo Y, Zhang Q. The correlation between theoretical and experimentally estimated resonance energies Journal of Molecular Structure: Theochem. 357: 171-176. DOI: 10.1016/0166-1280(95)04274-A  0.96
1995 Mo Y, Zhang Q. Why N2O2 is cis while (CHO)2 is trans: MO and VBstudies International Journal of Quantum Chemistry. 56: 19-26. DOI: 10.1002/qua.560560105  0.96
1995 Mo Y, Zhang Q. Bonding features of LiH: A VBSCF study Journal of Physical Chemistry. 99: 8535-8540.  0.96
Show low-probability matches.