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Items: 1 to 20 of 24

1.
2.

Theoretical insight into the mechanism of photoreduction of CO2 to CO by graphitic carbon nitride.

Wu HZ, Bandaru S, Huang XL, Liu J, Li LL, Wang Z.

Phys Chem Chem Phys. 2019 Jan 21;21(3):1514-1520. doi: 10.1039/c8cp06956e. Epub 2019 Jan 7.

PMID:
30613835
3.

Self-Supported FeCo2S4 Nanotube Arrays as Binder-Free Cathodes for Lithium-Sulfur Batteries.

Guo B, Bandaru S, Dai C, Chen H, Zhang Y, Xu Q, Bao S, Chen M, Xu M.

ACS Appl Mater Interfaces. 2018 Dec 19;10(50):43707-43715. doi: 10.1021/acsami.8b16948. Epub 2018 Dec 7.

PMID:
30480423
4.

Tweaking the Electronic and Optical Properties of α-MoO3 by Sulphur and Selenium Doping - a Density Functional Theory Study.

Bandaru S, Saranya G, English NJ, Yam C, Chen M.

Sci Rep. 2018 Jul 4;8(1):10144. doi: 10.1038/s41598-018-28522-7.

5.

Exploring the formation and electronic structure properties of the g-C3N4 nanoribbon with density functional theory.

Wu HZ, Zhong QH, Bandaru S, Liu J, Lau WM, Li LL, Wang Z.

J Phys Condens Matter. 2018 Apr 18;30(15):155303. doi: 10.1088/1361-648X/aab2ca. Epub 2018 Feb 28.

PMID:
29488471
7.

Differential Recognition of Anions with Selectivity towards F(-) by a Calix[6]arene-Thiourea Conjugate Investigated by Spectroscopy, Microscopy, and Computational Modeling by DFT.

Nehra A, Bandaru S, Yarramala DS, Rao CP.

Chemistry. 2016 Jun 20;22(26):8903-14. doi: 10.1002/chem.201600844. Epub 2016 May 11.

PMID:
27167164
8.

The Effect of Excess Electron and hole on CO2 Adsorption and Activation on Rutile (110) surface.

Yin WJ, Wen B, Bandaru S, Krack M, Lau MW, Liu LM.

Sci Rep. 2016 Mar 17;6:23298. doi: 10.1038/srep23298.

9.

Al atom on MoO3(010) surface: adsorption and penetration using density functional theory.

Wu HZ, Bandaru S, Wang D, Liu J, Lau WM, Wang Z, Li LL.

Phys Chem Chem Phys. 2016 Mar 14;18(10):7359-66. doi: 10.1039/c5cp07440a.

PMID:
26899169
10.

Ternary structure reveals mechanism of a membrane diacylglycerol kinase.

Li D, Stansfeld PJ, Sansom MSP, Keogh A, Vogeley L, Howe N, Lyons JA, Aragao D, Fromme P, Fromme R, Basu S, Grotjohann I, Kupitz C, Rendek K, Weierstall U, Zatsepin NA, Cherezov V, Liu W, Bandaru S, English NJ, Gati C, Barty A, Yefanov O, Chapman HN, Diederichs K, Messerschmidt M, Boutet S, Williams GJ, Marvin Seibert M, Caffrey M.

Nat Commun. 2015 Dec 17;6:10140. doi: 10.1038/ncomms10140.

11.
12.

Water-Soluble 8-Hydroxyquinoline Conjugate of Amino-Glucose As Receptor for La(3+) in HEPES Buffer, on Whatman Cellulose Paper and in Living Cells.

Areti S, Bandaru S, Teotia R, Rao CP.

Anal Chem. 2015 Dec 15;87(24):12348-54. doi: 10.1021/acs.analchem.5b03723. Epub 2015 Dec 1.

PMID:
26575324
14.

Coumarine-imino-C2-glucosyl conjugate as receptor for Cu(2+) in blood serum milieu, on silica gel sheet and in Hep G2 cells and the characterization of the species of recognition.

Areti S, Khedkar JK, Bandaru S, Teotia R, Bellare J, Rao CP.

Anal Chim Acta. 2015 May 11;873:80-7. doi: 10.1016/j.aca.2015.02.065. Epub 2015 Feb 27.

PMID:
25911433
15.

Binding and ratiometric dual ion recognition of Zn(2+) and Cu(2+) by 1,3,5-tris-amidoquinoline conjugate of calix[6]arene by spectroscopy and its supramolecular features by microscopy.

Mummidivarapu VV, Bandaru S, Yarramala DS, Samanta K, Mhatre DS, Rao CP.

Anal Chem. 2015;87(9):4988-95. doi: 10.1021/acs.analchem.5b00905. Epub 2015 Apr 23.

PMID:
25867699
16.

Theoretical studies of separation of cis-trans isomers using dinuclear (Cu(2+)- and Zn(2+)-based) cryptates.

Bandaru S, English NJ, MacElroy JM.

J Mol Model. 2014 Jul;20(7):2328. doi: 10.1007/s00894-014-2328-z. Epub 2014 Jun 27.

PMID:
24969844
17.

Peptide-based carbohydrate receptors.

Rauschenberg M, Bandaru S, Waller MP, Ravoo BJ.

Chemistry. 2014 Mar 3;20(10):2770-82. doi: 10.1002/chem.201303777.

PMID:
24677356
18.

Towards the design of novel boron- and nitrogen-substituted ammonia-borane and bifunctional arene ruthenium catalysts for hydrogen storage.

Bandaru S, English NJ, Phillips AD, MacElroy JM.

J Comput Chem. 2014 May 5;35(12):891-903. doi: 10.1002/jcc.23534. Epub 2014 Feb 5.

PMID:
24497325
19.

Implicit and explicit solvent models for modeling a bifunctional arene ruthenium hydrogen-storage catalyst: a classical and ab initio molecular simulation study.

Bandaru S, English NJ, MacElroy JM.

J Comput Chem. 2014 Apr 5;35(9):683-91. doi: 10.1002/jcc.23514. Epub 2014 Jan 4.

PMID:
24391060
20.

Some novel molecular frameworks involving representative elements.

Chakraborty A, Bandaru S, Das R, Duley S, Giri S, Goswami K, Mondal S, Pan S, Sen S, Chattaraj PK.

Phys Chem Chem Phys. 2012 Nov 21;14(43):14784-802. doi: 10.1039/c2cp41424d. Epub 2012 Jul 9.

PMID:
22777087

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