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Items: 1 to 20 of 23

1.

Well-defined palladium(0) complexes bearing N-heterocyclic carbene and phosphine moieties: efficient catalytic applications in the Mizoroki-Heck reaction and direct C-H functionalization.

Lee JY, Shen JS, Tzeng RJ, Lu IC, Lii JH, Hu CH, Lee HM.

Dalton Trans. 2016 Jun 21;45(25):10375-88. doi: 10.1039/c6dt01323f.

PMID:
27251564
2.

Molecular Mechanics (MM4) Studies on Unusually Long Carbon-Carbon Bond Distances in Hydrocarbons.

Allinger NL, Lii JH, Schaefer HF 3rd.

J Chem Theory Comput. 2016 Jun 14;12(6):2774-8. doi: 10.1021/acs.jctc.5b00926. Epub 2016 May 10.

PMID:
27164310
3.

Catenanes: A molecular mechanics analysis of the (C13H26)2 Structure 13-13 D2.

Lii JH, Allinger NL, Hu CH, Schaefer HF 3rd.

J Comput Chem. 2016 Jan 5;37(1):124-9. doi: 10.1002/jcc.24193. Epub 2015 Oct 29.

PMID:
26511440
4.

How Small Can a Catenane Be?

Feng X, Gu J, Chen Q, Lii JH, Allinger NL, Xie Y, Schaefer HF 3rd.

J Chem Theory Comput. 2014 Apr 8;10(4):1511-7. doi: 10.1021/ct400926p.

PMID:
26580367
5.

Formation of CC-type palladacycles with assistance from an apparently innocent NH(CO) functional group.

Lee JY, Huang YH, Liu SY, Cheng SC, Jhou YM, Lii JH, Lee HM.

Chem Commun (Camb). 2012 Jun 7;48(45):5632-4. doi: 10.1039/c2cc31299a. Epub 2012 Apr 24.

PMID:
22531156
6.

An improved theoretical approach to the empirical corrections of density functional theory.

Lii JH, Hu CH.

J Comput Aided Mol Des. 2012 Feb;26(2):199-213. doi: 10.1007/s10822-011-9534-x. Epub 2011 Dec 24.

PMID:
22198476
7.

Accurate prediction of the enthalpies of formation for xanthophylls.

Lii JH, Liao FX, Hu CH.

J Comput Chem. 2011 Nov 30;32(15):3175-87. doi: 10.1002/jcc.21899. Epub 2011 Aug 11.

PMID:
21837728
8.

A theoretical approach for accurate predictions of the enthalpies of formation of carotenes.

Lii JH, Liao FX, Hsieh HY, Hu CH.

J Phys Chem A. 2010 Nov 25;114(46):12334-44. doi: 10.1021/jp107973s. Epub 2010 Nov 3.

PMID:
21043533
9.

Selenoglycosides in silico: ab initio-derived reparameterization of MM4, conformational analysis using histo-blood group ABH antigens and lectin docking as indication for potential of bioactivity.

Strino F, Lii JH, Koppisetty CA, Nyholm PG, Gabius HJ.

J Comput Aided Mol Des. 2010 Dec;24(12):1009-21. doi: 10.1007/s10822-010-9392-y. Epub 2010 Oct 26.

PMID:
20976527
10.

Conformational analysis of thioglycoside derivatives of histo-blood group ABH antigens using an ab initio-derived reparameterization of MM4: implications for design of non-hydrolysable mimetics.

Strino F, Lii JH, Gabius HJ, Nyholm PG.

J Comput Aided Mol Des. 2009 Dec;23(12):845-52. doi: 10.1007/s10822-009-9301-4. Epub 2009 Sep 15.

PMID:
19757090
11.

The important role of lone-pairs in force field (MM4) calculations on hydrogen bonding in alcohols.

Lii JH, Allinger NL.

J Phys Chem A. 2008 Nov 20;112(46):11903-13. doi: 10.1021/jp804581h. Epub 2008 Oct 23.

PMID:
18942820
12.

Molecular mechanics (MM4) study of amines.

Chen KH, Lii JH, Fan Y, Allinger NL.

J Comput Chem. 2007 Nov 30;28(15):2391-412.

PMID:
17486561
13.

Molecular mechanics (MM4) study of fluorinated hydrocarbons.

Chen KH, Lii JH, Walker GA, Xie Y, Schaefer HF 3rd, Allinger NL.

J Phys Chem A. 2006 Jun 8;110(22):7202-27.

PMID:
16737272
14.

The external-anomeric torsional effect.

Lii JH, Chen KH, Johnson GP, French AD, Allinger NL.

Carbohydr Res. 2005 Apr 11;340(5):853-62.

PMID:
15780251
15.

Alcohols, ethers, carbohydrates, and related compounds. IV. Carbohydrates.

Lii JH, Chen KH, Allinger NL.

J Comput Chem. 2003 Sep;24(12):1504-13.

PMID:
12868113
16.

Alcohols, ethers, carbohydrates, and related compounds. III. The 1,2-dimethoxyethane system.

Lii JH, Chen KH, Grindley TB, Allinger NL.

J Comput Chem. 2003 Sep;24(12):1490-503.

PMID:
12868112
17.

Alcohols, ethers, carbohydrates, and related compounds. II. The anomeric effect.

Lii JH, Chen KH, Durkin KA, Allinger NL.

J Comput Chem. 2003 Sep;24(12):1473-89.

PMID:
12868111
18.

Alcohols, ethers, carbohydrates, and related compounds. I. The MM4 force field for simple compounds.

Allinger NL, Chen KH, Lii JH, Durkin KA.

J Comput Chem. 2003 Sep;24(12):1447-72.

PMID:
12868110
19.

Molecular mechanics (MM3) calculations on lithium amide compounds.

Yoshida T, Sakakibara K, Asami M, Chen KH, Lii JH, Allinger NL.

J Comput Chem. 2003 Feb;24(3):319-27.

PMID:
12548723
20.

Suit over adopted boy's H.I.V. seen as a first.

Lii JH.

N Y Times Web. 1998 Feb 8:35. No abstract available.

PMID:
11648080

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