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Asit K Chandra
Asit K Chandra
Professor of Chemistry
Verified email at nehu.ac.in - Homepage
Title
Cited by
Cited by
Year
Protonation and deprotonation enthalpies of guanine and adenine and implications for the structure and energy of their complexes with water: comparison with uracil, thymine …
AK Chandra, MT Nguyen, T Uchimaru, T Zeegers-Huyskens
The Journal of Physical Chemistry A 103 (44), 8853-8860, 1999
2321999
The OH bond dissociation energies of substituted phenols and proton affinities of substituted phenoxide ions: a DFT study
AK Chandra, T Uchimaru
International Journal of Molecular Sciences 3 (4), 407-422, 2002
1742002
Theoretical study of the interaction between thymine and water. Protonation and deprotonation enthalpies and comparison with uracil
AK Chandra, MT Nguyen, T Zeegers-Huyskens
The Journal of Physical Chemistry A 102 (29), 6010-6016, 1998
1521998
Another look at the mechanism of the concerted 1, 3-dipolar cycloaddition of fulminic acid to acetylene
MT Nguyen, AK Chandra, S Sakai, K Morokuma
The Journal of Organic Chemistry 64 (1), 65-69, 1999
1301999
Mechanism of [2+ 1] cycloadditions of hydrogen isocyanide to alkynes: molecular orbital and density functional theory study
LT Nguyen, TN Le, F De Proft, AK Chandra, W Langenaeker, MT Nguyen, ...
Journal of the American Chemical Society 121 (25), 5992-6001, 1999
1291999
Protonation and deprotonation energies of uracil Implications for the uracil–water complex
MT Nguyen, AK Chandra
Journal of the Chemical Society, Faraday Transactions 94 (9), 1277-1280, 1998
1251998
Density functional approach to regiochemistry, activation energy, and hardness profile in 1, 3-dipolar cycloadditions
AK Chandra, MT Nguyen
The Journal of Physical Chemistry A 102 (30), 6181-6185, 1998
1101998
Use of local softness for the interpretation of reaction mechanisms
AK Chandra, MT Nguyen
International Journal of Molecular Sciences 3 (4), 310-323, 2002
992002
Hardness profile: a critical study
AK Chandra, T Uchimaru
The Journal of Physical Chemistry A 105 (14), 3578-3582, 2001
832001
The S− H bond dissociation enthalpies and acidities of para and meta substituted thiophenols: a quantum chemical study
AK Chandra, PC Nam, MT Nguyen
The Journal of Physical Chemistry A 107 (43), 9182-9188, 2003
822003
Rate constants estimation for the reaction of hydrofluorocarbons and hydrofluoroethers with OH radicals
S Urata, A Takada, T Uchimaru, AK Chandra
Chemical physics letters 368 (1-2), 215-223, 2003
812003
A dft study on the c− h bond dissociation enthalpies of haloalkanes: Correlation between the bond dissociation enthalpies and activation energies for hydrogen abstraction
AK Chandra, T Uchimaru
The Journal of Physical Chemistry A 104 (40), 9244-9249, 2000
752000
On the asynchronism of isocyanide addition to dipolarophiles: Application of local softness
AK Chandra, P Geerlings, MT Nguyen
The Journal of Organic Chemistry 62 (18), 6417-6419, 1997
741997
Calculation of proton affinities using density functional procedures: a critical study
AK Chandra, A Goursot
The Journal of Physical Chemistry 100 (28), 11596-11599, 1996
741996
Nitrous oxide as a 1, 3-dipole: a theoretical study of its cycloaddition mechanism
LT Nguyen, FD Proft, AK Chandra, T Uchimaru, MT Nguyen, P Geerlings
The Journal of Organic Chemistry 66 (18), 6096-6103, 2001
732001
A density functional study of weakly bound hydrogen bonded complexes
AK Chandra, MT Nguyen
Chemical physics 232 (3), 299-306, 1998
711998
Theoretical study of the protonation and deprotonation of cytosine. Implications for the interaction of cytosine with water
AK Chandra, MT Nguyen, T Zeegers-Huyskens
Journal of Molecular Structure 519 (1-3), 1-11, 2000
702000
Theoretical study of the acidity and basicity of the cytosine tautomers and their 1: 1 complexes with water
AK Chandra, D Michalska, R Wysokinsky, T Zeegers-Huyskens
The Journal of Physical Chemistry A 108 (44), 9593-9600, 2004
672004
Approach to regiochemistry using local softness in 1, 3‐dipolar cycloadditions
AK Chandra, M Tho Nguyen
Journal of computational chemistry 19 (2), 195-202, 1998
651998
Regioselectivity of Oxetane Formation in the Photocycloaddition of Lowest 3(n,π*) State of Carbonyl Compounds:  Interpretation Using Local Softness
D Sengupta, AK Chandra, MT Nguyen
The Journal of Organic Chemistry 62 (18), 6404-6406, 1997
581997
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Articles 1–20