Combined experimental and computational studies on molecular structure of nickel complex of 4-amino-N-(1, 3-thiazol-2-yl) benzenesulfonamide with coordinated pyridine

2020 ◽  
pp. 1-11
Author(s):  
Sachin B. Pandya ◽  
Bhavesh N. Socha ◽  
Kaushik P. Chaudhary ◽  
Rahul P. Dubey ◽  
Bhavin R. Chavda ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Nickel Complex ◽  
Computational Studies

ChemInform Abstract: METAL CLUSTERS IN CATALYSIS. 7. MOLECULAR STRUCTURE AND CHEMICAL PROPERTIES OF A NOVEL METAL-METAL BONDED NICKEL COMPLEX

1977 ◽  
Vol 8 (10) ◽  
pp. no-no
Author(s):  
V. W. DAY ◽  
S. S. ABDEL-MEGUID ◽  
S. DABESTANI ◽  
M. G. THOMAS ◽  
W. R. PRETZER ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Nickel Complex ◽  
Metal Clusters ◽  
Chemical Properties ◽  
Metal Metal ◽  
And Chemical Properties

Computational studies of the molecular structure and electronic spectroscopy of carotenoids

1993 ◽  
Vol 97 (37) ◽  
pp. 9351-9355 ◽  
Author(s):  
Robert E. Connors ◽  
Douglas S. Burns ◽  
Roya Farhoosh ◽  
Harry A. Frank
Keyword(s):  
Molecular Structure ◽  
Electronic Spectroscopy ◽  
Computational Studies

STRUCTURE DETERMINATION OF TpRu(PPh3){κ2-N, O-NH=C(Ph)N=C(Ph)O}: A STORY OF HOW COMPUTATIONAL STUDIES CONTRIBUTE TO THE STRUCTURAL CHARACTERIZATION PROCESS

2009 ◽  
Vol 08 (03) ◽  
pp. 417-422 ◽  
Author(s):  
WENXU ZHENG ◽  
CHUNG WING LEUNG ◽  
ZHONGYUAN ZHOU ◽  
CHAK PO LAU ◽  
ZHENYANG LIN
Keyword(s):  
Molecular Structure ◽  
Computational Chemistry ◽  
Structural Characterization ◽  
Structure Determination ◽  
Structure Elucidation ◽  
Computational Studies

In this paper, we described the process involved in the structure determination of TpRu ( PPh 3){κ2-N, O- NH = C ( Ph ) N = C ( Ph ) O } and demonstrated the tremendous help of computational chemistry in the molecular structure elucidation.

Experimental and computational studies on the average molecular structure of Chinese Huadian oil shale kerogen

2012 ◽  
Vol 1030 ◽  
pp. 10-18 ◽  
Author(s):  
Xin Ru ◽  
Zhiqiang Cheng ◽  
Lihua Song ◽  
Hongyan Wang ◽  
Junfeng Li
Keyword(s):  
Molecular Structure ◽  
Oil Shale ◽  
Computational Studies
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