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Wiley电子期刊(4)
SpringerLink电子期刊(22)
ACS电子期刊(11)
Springer电子图书(33)
Elsevier电子期刊(17)
在“
Elsevier电子期刊
”中,
命中:
17
条,耗时:小于0.01 秒
在所有数据库中总计命中:
87
条
1.
A comprehensive spectroscopic and computational investigation of intramolecular proton transfer in the excited states of 2-(2鈥?hydroxyphenyl) benzoxazole and its derivatives
作者:
Vikas S. Padalkar
;
Ponnadurai
Ramasami
;
Nagaiyan Sekar
关键词:
Benzoxazole
;
ESIPT
;
Fluorescence
;
Solvatochromism
;
TD-DFT
刊名:Journal of Luminescence
出版年:February, 2014
2.
A density functional theory study of the regio- and stereoselectivity of the 1,3-dipolar cycloaddition of C-methyl substituted pyrazinium-3-olates with methyl acrylate and methyl methacrylate
作者:
Lydia Rhyman
;
Ponnadurai
Ramasami
;
John A. Joule
;
Luis R. Domingo
关键词:1 ;
3-Dipolar cycloaddition
;
Pyrazinium-3-olate
;
Methyl acrylate
;
Methyl methacrylate
;
Skeleton rearrangement
刊名:Computational and Theoretical Chemistry
出版年:1 December, 2013
3.
Ab initio studies of some hydrogen-bonded complexes of fluoroform - Evidence for blue-shifted behaviour
作者:
Ponnadurai
Ramasami
;
Thomas A. Ford
关键词:
Ab initio
;
Molecular complexes
;
Hydrogen bonding
;
Molecular structures
;
Interaction energies
;
Vibrational spectra
刊名:Journal of Molecular Structure
出版年:2012
4.
An ab initio molecular orbital study of the complexes formed between silicon tetrafluoride and some Lewis bases
作者:
Ponnadurai
Ramasami
;
Thomas A. Ford
关键词:
Ab initio
calculations
;
Molecular complexes
;
Molecular structures
;
Interaction energies
;
Vibrational spectra
;
Silicon tetrafluoride
刊名:Journal of Molecular Structure: THEOCHEM
出版年:2010
5.
First principle study of the trans and gauche rotamers of 1,2dihalogenodisilanes (XSiH
2
SiH
2
X; X=F, Cl, Br and I) in vacuum
作者:
Ponnadurai
;
Ramasami
1
;
;
ramchemi@intnet.mu
关键词:1 ;
2-difluorodisilane
;
1
;
2-dichlorodisilane
;
1
;
2-dibromodisilane
;
1
;
2-diododisilane
;
Molecular structure
;
Energy difference
;
Rotational barrier
;
Infrared spectrum
刊名:Procedia Computer Science
出版年:2010
6.
The 1,3-dipolar cycloaddition of 1H-pyridinium-3-olate and 1-methylpyridinium-3-olate with methyl acrylate: a density functional theory study
作者:
Lydia Rhyman
;
Hassan H. Abdallah
;
Sabina Jhaumeer-Laulloo
;
Luis R. Domingo
;
John A. Joule
;
Ponnadurai
Ramasami
刊名:Tetrahedron
出版年:2010
7.
Theoretical study of 2-selenophenecarboaldehyde in the gas and solution phases: Rotational barrier, energy difference and thermodynamic parameters
作者:
Ponnadurai
Ramasami
关键词:
2-Selenophenecarboaldehyde
;
Energy difference
;
Rotational barrier
;
Solvent effect
;
Vibrational wavenumber
刊名:Journal of Molecular Structure: THEOCHEM
出版年:2009
8.
Rotational barrier, energy difference and thermodynamic parameters of 2-furoylfluoride, its sulfur and selenium analogues in the gas and solution phases: A theoretical study
作者:
Hassan H. Abdallah
;
Ponnadurai
Ramasami
关键词:
2-Furoylfluoride
;
Energy difference
;
Rotational barrier
;
Solvent effect
;
Vibrational spectrum
刊名:Journal of Molecular Structure: THEOCHEM
出版年:2009
9.
Geometric and electronic structure of AlO
4
and
作者:
Edet F. Archibong
;
Neelum Seeburrun
;
Ponnadurai
Ramasami
刊名:Chemical Physics Letters
出版年:2009
10.
Electronic structures of Al
4
As, Ga
4
As and their anions
作者:
Neelum Seeburrun
;
Pravesh Gohee
;
Hassan H. Abdallah
;
Linda Kanime
;
Edet F. Archibong
;
Ponnadurai
Ramasami
刊名:Chemical Physics Letters
出版年:2009
1
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