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Ruo-Zhuang Liu - Publications

Affiliations: 
chemistry Beijing Normal University, China, Beijing, Beijing Shi, China 
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39 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
2012 Yang L, Liao R, Ding W, Liu K, Yu J, Liu R. Why calcium inhibits magnesium-dependent enzyme phosphoserine phosphatase? A theoretical study Theoretical Chemistry Accounts. 131. DOI: 10.1007/S00214-012-1275-Y  0.596
2011 Liu YF, Liao RZ, Ding WJ, Yu JG, Liu RZ. Theoretical investigation of the first-shell mechanism of acetylene hydration catalyzed by a biomimetic tungsten complex. Journal of Biological Inorganic Chemistry : Jbic : a Publication of the Society of Biological Inorganic Chemistry. 16: 745-52. PMID 21476050 DOI: 10.1007/S00775-011-0775-X  0.632
2010 Qi N, Liao RZ, Yu JG, Liu RZ. DFT study of the asymmetric nitroaldol (Henry) reaction catalyzed by a dinuclear Zn complex. Journal of Computational Chemistry. 31: 1376-84. PMID 20020486 DOI: 10.1002/Jcc.21422  0.614
2010 Liao RZ, Himo F, Yu JG, Liu RZ. Dipeptide hydrolysis by the dinuclear zinc enzyme human renal dipeptidase: mechanistic insights from DFT calculations. Journal of Inorganic Biochemistry. 104: 37-46. PMID 19879002 DOI: 10.1016/J.Jinorgbio.2009.09.025  0.684
2010 Hong S, Liu R. Quantum chemical study on the mechanism of the consecutive addition of HCN to aminoacetonitrile Chinese Journal of Chemistry. 11: 1-5. DOI: 10.1002/Cjoc.19930110101  0.354
2009 Yang L, Liao RZ, Yu JG, Liu RZ. DFT study on the mechanism of Escherichia coli inorganic pyrophosphatase. The Journal of Physical Chemistry. B. 113: 6505-10. PMID 19366250 DOI: 10.1021/Jp810003W  0.635
2009 Liao R, Himo F, Yu J, Liu R. Theoretical Study of the RNA Hydrolysis Mechanism of the Dinuclear Zinc Enzyme RNase Z European Journal of Inorganic Chemistry. 2009: 2967-2972. DOI: 10.1002/Ejic.200900202  0.627
2009 Lu A, Ke M, Ding W, Liu R. Effect of S replacement on the mechanism of unimolecular reactions for ground-state thioacetic acid: A theoretical study Chinese Journal of Chemistry. 27: 227-234. DOI: 10.1002/Cjoc.200990037  0.366
2008 Wang Y, Huang Y, Yin B, Yang B, Liu R. Octacoordinate Carbons Encaged Inside Carborane Clusters: A Density Functional Theory Investigation Journal of Physical Chemistry A. 112: 7643-7651. PMID 18652442 DOI: 10.1021/Jp801332B  0.366
2008 Liao RZ, Ding WJ, Yu JG, Fang WH, Liu RZ. Theoretical studies on pyridoxal 5'-phosphate-dependent transamination of alpha-amino acids. Journal of Computational Chemistry. 29: 1919-29. PMID 18366019 DOI: 10.1002/Jcc.20958  0.583
2008 Wang Y, Fang DC, Liu RZ. Computational study of intermolecular formal oxa-[3 + 3] cycloaddition reactions Journal of Molecular Structure: Theochem. 851: 358-362. DOI: 10.1016/J.Theochem.2007.11.025  0.432
2008 Wang Y, Huang Y, Yang B, Liu R. Crystal orbital study on carbon chains encapsulated in armchair carbon nanotubes with various diameters Carbon. 46: 276-284. DOI: 10.1016/J.Carbon.2007.11.043  0.311
2007 Liao RZ, Ding WJ, Yu JG, Fang WH, Liu RZ. Water-assisted transamination of glycine and formaldehyde. The Journal of Physical Chemistry. A. 111: 3184-90. PMID 17394297 DOI: 10.1021/Jp070130V  0.603
2007 Lin L, Zu L, Fang W, Yu J, Liu R. Theoretical Study of the Low-Lying Excited States of Butoxy Radicals and Non-Radiative Decay Routes Chinese Journal of Chemistry. 25: 1467-1473. DOI: 10.1002/Cjoc.200790271  0.359
2006 Lin L, Ding WJ, Fang WH, Liu RZ. Insights into the photochemical processes of ClC(O)SCl from ab initio calculations. The Journal of Physical Chemistry. A. 110: 8744-9. PMID 16836436 DOI: 10.1021/Jp054497G  0.329
2006 Wang Y, Huang Y, Liu R. Squeezing carbon dimers into the smallest fullerenes: DFT prediction of new carbon clusters containing double hypercoordinate carbons Journal of Molecular Structure: Theochem. 775: 61-65. DOI: 10.1016/J.Theochem.2006.07.020  0.324
2006 Wang Y, Fang DC, Liu RZ. A computational study on the substituent effects and product stereoselectivity of the intermolecular formal aza-[3+3] cycloaddition reaction between vinylogous amides and α,β-unsaturated imine cations Journal of Molecular Structure: Theochem. 770: 169-178. DOI: 10.1016/J.Theochem.2006.06.004  0.382
2005 Tan H, Qu W, Chen G, Liu R. The role of charge transfer in the hydrogen bond cooperative effect of cis-N-methylformamide oligomers. Journal of Physical Chemistry A. 109: 6303-6308. PMID 16833972 DOI: 10.1021/Jp051444Q  0.345
2005 Lin L, Zhang F, Ding WJ, Fang WH, Liu RZ. Striving to understand the photophysics and photochemistry of thiophosgene: a combined CASSCF and MR-CI study. The Journal of Physical Chemistry. A. 109: 554-61. PMID 16833379 DOI: 10.1021/Jp046000T  0.309
2005 Wang Y, Fang DC, Liu RZ. Theoretical studies on formal hetero [3+3] cycloaddition reaction between vinylogous amide and α,β-unsaturated imine cation Tetrahedron. 61: 5663-5669. DOI: 10.1016/j.tet.2005.03.098  0.36
2004 Ding W, Fang W, Liu R. Theoretical studies on unimolecular reactions of thioacetaldehyde Journal of Molecular Structure: Theochem. 682: 29-35. DOI: 10.1016/J.Theochem.2004.05.022  0.366
2004 Wei MJ, Fang DC, Liu RZ. Theoretical studies on cycloaddition reactions between 1-aza-2-azoniaallene cations and isocyanates European Journal of Organic Chemistry. 4070-4076. DOI: 10.1002/ejoc.200400343  0.307
2003 Ding W, Fang W, Liu R. Theoretical study on unimolecular reactions of thioformyl cyanide Journal of Molecular Structure: Theochem. 623: 327-334. DOI: 10.1016/S0166-1280(02)00773-X  0.427
2003 Ding W, Fang W, Liu R. A combined CASSCF and TDDFT study on the structures and properties of formyl cyanide in low-lying electronic states Chemical Physics Letters. 369: 570-578. DOI: 10.1016/S0009-2614(03)00006-X  0.319
2003 Du S, Huang Y, Liu R. Theoretical studies on one-dimensional polymers constructed from D2d C36 molecules Chemical Physics Letters. 380: 372-377. DOI: 10.1016/J.Cplett.2003.09.040  0.334
2002 Wei MJ, Fang DC, Liu RZ. Theoretical studies on cycloaddition reactions between 1-aza-2-azoniaallene cation and olefins. The Journal of Organic Chemistry. 67: 7432-8. PMID 12375976  0.336
2002 Ding WJ, Fang WH, Liu RZ, Fang DC. Selectivity of the α and β bond fissions for bromoacetyl chloride upon n→π* excitation: A combined complete-active-space self-consistent field and multireference configuration interaction study Journal of Chemical Physics. 117: 8745-8753. DOI: 10.1063/1.1515318  0.372
2002 Du S, Huang Y, Li Y, Liu R. Stabilities and Electronic Properties of Two-Dimensional C36Crystals The Journal of Physical Chemistry B. 106: 4098-4104. DOI: 10.1021/Jp013623N  0.329
2002 Wei MJ, Fang DC, Liu RZ. Theoretical studies on cycloaddition reactions between 1-aza-2-azoniaallene cation and olefins Journal of Organic Chemistry. 67: 7432-7438. DOI: 10.1021/jo0258709  0.336
2002 Ding W, Fang W, Liu R. An ab initio study of potential energy surfaces of CH3COCN dissociation on the low-lying states Chemical Physics Letters. 351: 9-17. DOI: 10.1016/S0009-2614(01)01293-3  0.322
2002 Li Y, Huang Y, Du S, Liu R. Structures and stabilities of C36-rings Carbon. 40: 2255-2262. DOI: 10.1016/S0008-6223(02)00106-9  0.321
2001 Fang W, Liu R. Ab initio studies of dissociation pathways on the ground- and excited-state potential energy surfaces for formyl chloride (HClCO) The Journal of Chemical Physics. 115: 10431. DOI: 10.1063/1.1416174  0.354
2001 Fang W, Liu R. Ab initio studies of dissociation pathways on the ground- and excited-state potential energy surfaces for HFCO The Journal of Chemical Physics. 115: 5411-5417. DOI: 10.1063/1.1398096  0.357
2001 Li Y, Huang Y, Du S, Liu R. Structures and stabilities of C60-rings Chemical Physics Letters. 335: 524-532. DOI: 10.1016/S0009-2614(01)00064-1  0.323
2001 Du S, Huang Y, Li Y, Liu R. Electronic structures and infrared spectra of C120O2, C120OS and C120S2 Chinese Science Bulletin. 46: 818-822. DOI: 10.1007/Bf02900430  0.313
2000 Su H, He Y, Kong F, Fang W, Liu R. Photodissociation of formic acid The Journal of Chemical Physics. 113: 1891-1897. DOI: 10.1063/1.482076  0.325
1994 Fang WH, Huang MB, Fang DC, Liu RZ. Theoretical study of the photodecarbonylation reaction of acrolein Journal of Molecular Structure: Theochem. 305: 185-189. DOI: 10.1016/0166-1280(94)80153-3  0.424
1994 Fang W, Liu R, You X. Theoretical study on unimolecular reactions of formyl cyanide Chemical Physics Letters. 226: 453-458. DOI: 10.1016/0009-2614(94)00764-0  0.388
1994 Liu R, Ma S, Li Z. Theoretical study on the dynamic properties and state-selected rate constants of the reaction CH(4Σ−)+H2→CH2(3B1)+H Chemical Physics Letters. 219: 143-150. DOI: 10.1016/0009-2614(94)00036-0  0.396
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