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Co-authors
(1448)
Vinod K. Rastogi
16
Vinit K. Rastogi
15
Manuel Gil
10
Vinit K. Rastogi
10
Gloria Tardajos
8
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SPECTROSC LETT
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J MOL STRUC-THEOCHEM
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INT J QUANTUM CHEM
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Authors
Mauricio Alcolea Palafox
Mauricio Alcolea Palafox,Universidad Complutense de Madrid,Computational Chemistry,Applied Chemistry,Medicine
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Mauricio Alcolea Palafox
Universidad Complutense de Madrid
Publications:
104
|
Citations:
124
Fields:
Computational Chemistry
,
Applied Chemistry
,
Medicine
View FAQ about top research areas and Fields of study
Collaborated with
1448 co-authors
from 1991 to 2011
|
Cited by
243 authors
Cumulative
Annual
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Publications
(104)
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DFT calculation of four new potential agents muscarinic of bispyridinium type: structure, synthesis, biological activity, hydration, and relations with the potents W84 and DUO3O
M. Alcolea Palafox
,
P. Posada-Moreno
,
A. L. Villarino-Marín
,
C. Martinez-Rincon
,
I. Ortuño-Soriano
,
I. Zaragoza-García
Journal:
Journal of Computer-aided Molecular Design - JCAMD
, vol. 25, no. 2, pp. 145-161, 2011
Tautomerism in 5Bromouracil: Relationships with Other 5-Haloderivatives and Effect of the Microhydration
M. Alcolea Palafox
,
V. K. Rastogi
,
Hitesh Kumar
,
I. Kostova
,
J. K. Vats
Journal:
Spectroscopy Letters - SPECTROSC LETT
, vol. 44, no. 4, pp. 300-306, 2011
Density functional theory calculations and vibrational spectral analysis of 3,5-(dinitrobenzoic acid)
M. Amalanathan
,
V. K. Rastogi
,
I. Hubert Joe
,
M. A. Palafox
,
Rashmi Tomar
Journal:
Spectrochimica Acta Part A-molecular and Biomolecular Spectroscopy - SPECTROCHIM ACTA PT A-MOL BIO
, vol. 78, no. 5, pp. 1437-1444, 2011
Density functional theory calculations and vibrational spectral analysis of 3,5-(dinitrobenzoic acid)
M. Amalanathan
,
V. K. Rastogi
,
I. Hubert Joe
,
M. A. Palafox
,
Rashmi Tomar
Journal:
Spectrochimica Acta Part A-molecular and Biomolecular Spectroscopy - SPECTROCHIM ACTA PT A-MOL BIO
, 2011
Structure and conformational analysis of the anti-HIV AZT 5′-aminocarbonylphosphonate prodrug using DFT methods
A. Tamara Molina
,
M. Alcolea Palafox
Journal:
Chemical Physics - CHEM PHYS
, vol. 387, no. 1, pp. 11-24, 2011
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Citations
(124 times by 81 publications)
A Comprehensive Study on Infrared Spectra of 2-Hydroxyxanthone
Ruijuan Qu
,
Qi Zhang
,
Xuesheng Zhang
,
Zunyao Wang
Journal:
Spectroscopy Letters - SPECTROSC LETT
, vol. 45, no. 4, pp. 240-245, 2012
Molecular structure and spectroscopic (FT-IR, FT-Raman, C, H NMR and UV) studies of 3,4-dihydroxy-l-phenylalanine using density functional theory
S. P. Vijaya Chamundeeswari
,
E. James Jebaseelan Samuel
,
N. Sundaraganesan
Journal:
Molecular Simulation - MOL SIMULAT
, vol. ahead-of-p, no. ahead-of-p, pp. 1-14, 2012
DFT and MP2 based quantum mechanical calculations and a theoretical vibrational spectroscopic investigation on roscovitine, a potential drug to treat cancers
K. Balci
,
Y. Akkaya
,
S. Akyuz
,
N. Palavan-Unsal
Journal:
Journal of Raman Spectroscopy - J RAMAN SPECTROSC
, vol. 42, pp. 719-732, 2011
Density functional theory and ab initio studies of vibrational spectra of 2-bis (2-chloroethyl) aminoperhydro-1,3,2-oxazaphosphorinane-2-oxide
S. Muthu
,
N. R. Sheela
,
S. Sampathkrishnan
Journal:
Molecular Simulation - MOL SIMULAT
, vol. ahead-of-p, no. ahead-of-p, pp. 1-13, 2011
Adsorption of 2-amino-5-cyanopyridine on a gold surface as probed by surface-enhanced Raman spectroscopy
Min-Min Xu
,
Ya-Xian Yuan
,
Jian-Lin Yao
,
San-Yang Han
,
Mei Wang
,
Ren-Ao Gu
Journal:
Journal of Raman Spectroscopy - J RAMAN SPECTROSC
, vol. 42, pp. 324-331, 2011
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