Theoretical study of the molecular and electronic structure of methanol on aTiO2(110)surface

Jin Zhao; Jinlong Yang; Hrvoje Petek

doi:10.1103/physrevb.80.235416

Theoretical study of the molecular and electronic structure of methanol on aTiO2(110)surface

Physical Review B ◽

10.1103/physrevb.80.235416 ◽

2009 ◽

Vol 80 (23) ◽

Cited By ~ 76

Author(s):

Jin Zhao ◽

Jinlong Yang ◽

Hrvoje Petek

Keyword(s):

Electronic Structure ◽

Theoretical Study ◽

Molecular And Electronic Structure

Download Full-text

Theoretical study of the molecular and electronic structure of one-dimensional crystals of potassium iodide and composites formed upon intercalation in single-walled carbon nanotubes

Physical Review B ◽

10.1103/physrevb.73.125441 ◽

2006 ◽

Vol 73 (12) ◽

Cited By ~ 31

Author(s):

Emma L. Sceats ◽

Jennifer C. Green ◽

Stephanie Reich

Keyword(s):

Carbon Nanotubes ◽

Electronic Structure ◽

Potassium Iodide ◽

Theoretical Study ◽

Single Walled Carbon Nanotubes ◽

One Dimensional ◽

Single Walled Carbon ◽

Walled Carbon Nanotubes ◽

Molecular And Electronic Structure

Download Full-text

ChemInform Abstract: MOLECULAR AND ELECTRONIC STRUCTURE OF PHOSPHONIUM CYCLOPROPYLIDE: A THEORETICAL STUDY

Chemischer Informationsdienst ◽

10.1002/chin.198339086 ◽

1983 ◽

Vol 14 (39) ◽

Author(s):

M. A. VINCENT ◽

H. F. III SCHAEFER ◽

A. SCHIER ◽

H. SCHMIDBAUR

Keyword(s):

Electronic Structure ◽

Theoretical Study ◽

Molecular And Electronic Structure

Download Full-text

Theoretical study of molecular and electronic structure of 2-Se-(2-methyl-2-propenyl)-1-benzoic acid

International Journal of Quantum Chemistry ◽

10.1002/qua.21072 ◽

2006 ◽

Vol 107 (1) ◽

pp. 152-158 ◽

Cited By ~ 6

Author(s):

Ali Jameel Hameed ◽

Abraham F. Jalbout ◽

Bartosz Trzaskowski

Keyword(s):

Electronic Structure ◽

Benzoic Acid ◽

Theoretical Study ◽

Molecular And Electronic Structure

Download Full-text

The Molecular and Electronic Structure of Nickelatetrazole - A Theoretical Study

Zeitschrift für anorganische und allgemeine Chemie ◽

10.1002/1521-3749(200108)627:8<1895::aid-zaac1895>3.0.co;2-4 ◽

2001 ◽

Vol 627 (8) ◽

pp. 1895-1900 ◽

Cited By ~ 4

Author(s):

Dörte Kurz ◽

Horst Hennig ◽

Joachim Reinhold

Keyword(s):

Electronic Structure ◽

Theoretical Study ◽

Molecular And Electronic Structure

Download Full-text

A theoretical study on the molecular and electronic structure of heteroaromatic bowl-shaped molecules

Chemical Physics Letters ◽

10.1016/s0009-2614(00)01345-2 ◽

2001 ◽

Vol 333 (1-2) ◽

pp. 103-112 ◽

Cited By ~ 17

Author(s):

David Delaere ◽

Minh Tho Nguyen ◽

Luc G Vanquickenborne

Keyword(s):

Electronic Structure ◽

Theoretical Study ◽

Molecular And Electronic Structure

Download Full-text

A theoretical study of the molecular and electronic structure of benzoannulated tetracyanoquinodimethanes

Journal of Materials Chemistry ◽

10.1039/jm9950501697 ◽

1995 ◽

Vol 5 (10) ◽

pp. 1697-1705 ◽

Cited By ~ 2

Author(s):

Enrique Ortí ◽

Rafael Viruela ◽

Pedro M. Viruela

Keyword(s):

Electronic Structure ◽

Theoretical Study ◽

Molecular And Electronic Structure

Download Full-text

Bis(α-diimine)nickel Complexes: Molecular and Electronic Structure of Three Members of the Electron-Transfer Series [Ni(L)2]z(z= 0, 1+, 2+) (L = 2-Phenyl-1,4-bis(isopropyl)-1,4-diazabutadiene). A Combined Experimental and Theoretical Study

Inorganic Chemistry ◽

10.1021/ic700407m ◽

2007 ◽

Vol 46 (13) ◽

pp. 5327-5337 ◽

Cited By ~ 82

Author(s):

Nicoleta Muresan ◽

Krzysztof Chlopek ◽

Thomas Weyhermüller ◽

Frank Neese ◽

Karl Wieghardt

Keyword(s):

Electron Transfer ◽

Electronic Structure ◽

Theoretical Study ◽

Nickel Complexes ◽

Molecular And Electronic Structure

Download Full-text

Molecular and electronic structure and IR spectra of mononuclear dinitrosyl iron complex Fe(SC2H3N3)(SC2H2N3)(NO)2]: a theoretical study

Russian Chemical Bulletin ◽

10.1007/s11172-007-0197-7 ◽

2007 ◽

Vol 56 (7) ◽

pp. 1289-1297 ◽

Cited By ~ 16

Author(s):

A. F. Shestakov ◽

Yu. M. Shul’ga ◽

N. S. Emel’yanova ◽

N. A. Sanina ◽

S. M. Aldoshin

Keyword(s):

Electronic Structure ◽

Ir Spectra ◽

Theoretical Study ◽

Iron Complex ◽

Dinitrosyl Iron Complex ◽

Dinitrosyl Iron ◽

Molecular And Electronic Structure

Download Full-text

Molecular and electronic structure of phosphonium cyclopropylide: a theoretical study

Journal of the American Chemical Society ◽

10.1021/ja00350a010 ◽

1983 ◽

Vol 105 (12) ◽

pp. 3806-3811 ◽

Cited By ~ 34

Author(s):

Mark A. Vincent ◽

Henry F. Schaefer ◽

Annette Schier ◽

Hubert Schmidbaur

Keyword(s):

Electronic Structure ◽

Theoretical Study ◽

Molecular And Electronic Structure

Download Full-text

MOLECULAR AND ELECTRONIC STRUCTURE OF HYDROLIZED PLATINUM ANTICANCER DRUGS REVEALED BY X-RAY ABSORPTION, IR, UV-VIS SPECTROSCOPIES AND DFT CALCULATIONS

Журнал структурной химии ◽

10.15372/jsc20160724 ◽

2016 ◽

Keyword(s):

Electronic Structure ◽

Dft Calculations ◽

Anticancer Drugs ◽

X Ray ◽

Platinum Anticancer Drugs ◽

X Ray Absorption ◽

Molecular And Electronic Structure

Download Full-text