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Nguyen, Loc Thanh, Le, Trung Ngoc, De Proft, Frank, Chandra, Asit K., Langenaeker, Wilfried, Nguyen, Minh Tho, Geerlings, Paul (1999) Mechanism of [2 + 1] Cycloadditions of Hydrogen Isocyanide to Alkynes:  Molecular Orbital and Density Functional Theory Study. Journal Of The American Chemical Society, 121 (25) 5992-6001 doi:10.1021/ja983394r

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Reference TypeJournal (article/letter/editorial)
TitleMechanism of [2 + 1] Cycloadditions of Hydrogen Isocyanide to Alkynes:  Molecular Orbital and Density Functional Theory Study
JournalJournal Of The American Chemical Society
AuthorsNguyen, Loc ThanhAuthor
Le, Trung NgocAuthor
De Proft, FrankAuthor
Chandra, Asit K.Author
Langenaeker, WilfriedAuthor
Nguyen, Minh ThoAuthor
Geerlings, PaulAuthor
Year1999 (June)Volume121
Issue25
PublisherAmerican Chemical Society (ACS)
DOIdoi:10.1021/ja983394rSearch in ResearchGate
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Mindat Ref. ID1546578Long-form Identifiermindat:1:5:1546578:2
GUID0
Full ReferenceNguyen, Loc Thanh, Le, Trung Ngoc, De Proft, Frank, Chandra, Asit K., Langenaeker, Wilfried, Nguyen, Minh Tho, Geerlings, Paul (1999) Mechanism of [2 + 1] Cycloadditions of Hydrogen Isocyanide to Alkynes:  Molecular Orbital and Density Functional Theory Study. Journal Of The American Chemical Society, 121 (25) 5992-6001 doi:10.1021/ja983394r
Plain TextNguyen, Loc Thanh, Le, Trung Ngoc, De Proft, Frank, Chandra, Asit K., Langenaeker, Wilfried, Nguyen, Minh Tho, Geerlings, Paul (1999) Mechanism of [2 + 1] Cycloadditions of Hydrogen Isocyanide to Alkynes:  Molecular Orbital and Density Functional Theory Study. Journal Of The American Chemical Society, 121 (25) 5992-6001 doi:10.1021/ja983394r
In(1999, June) Journal Of The American Chemical Society Vol. 121 (25) American Chemical Society (ACS)

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LE, TRUNG NGOC, NGUYEN, LOC THANH, NGUYEN, MINH THO (1999) Theoretical study of the CH3+ NS and related reactions: mechanism of HCN formation. Molecular Physics, 96. 1817-1822 doi:10.1080/00268979909483126
NGOC LE, LOC THANH NGUYEN, MINH THO, TRUNG (1999) RESEARCH NOTE Theoretical study of the CH3 + NS and related reactions: mechanism of HCN formation. Molecular Physics, 96. 1817-1822 doi:10.1080/002689799164261
Nguyen, Loc Thanh, Proft, Frank De, Dao, Van Luong, Nguyen, Minh Tho, Geerlings, Paul (2003) A theoretical approach to the regioselectivity in 1,3-dipolar cycloadditions of diazoalkanes, hydrazoic acid and nitrous oxide to acetylenes, phosphaalkynes and cyanides. Journal of Physical Organic Chemistry, 16 (9). 615-625 doi:10.1002/poc.653
Thanh Nguyen, Loc, Ngoc Le, Trung, Tho Nguyen, Minh (1998) Theoretical study of the potential-energy surface related to H2N+NS reaction: N2 vs. H2 elimination. Journal of the Chemical Society, Faraday Transactions, 94. 3541-3547 doi:10.1039/a806630b
Boon, Greet, De Proft, Frank, Langenaeker, Wilfried, Geerlings, Paul (1998) The use of density functional theory-based reactivity descriptors in molecular similarity calculations. Chemical Physics Letters, 295. 122-128 doi:10.1016/s0009-2614(98)00936-1
Chandra, Asit K., Nguyen, Minh Tho (1998) Density Functional Approach to Regiochemistry, Activation Energy, and Hardness Profile in 1,3-Dipolar Cycloadditions. The Journal of Physical Chemistry A, 102 (30). 6181-6185 doi:10.1021/jp980949w
Langenaeker, Wilfried, De Proft, Frank, Geerlings, Paul (1998) Ab Initio and Density Functional Theory Study of the Geometry and Reactivity of Benzyne, 3-Fluorobenzyne, 4-Fluorobenzyne, and 4,5-Didehydropyrimidine. The Journal of Physical Chemistry A, 102 (29). 5944-5950 doi:10.1021/jp9807064
Chandra, Asit K, Nguyen, Minh Tho (1998) A density functional study of weakly bound hydrogen bonded complexes. Chemical Physics, 232. 299-306 doi:10.1016/s0301-0104(98)00111-6
Nguyen, Hue Minh Thi, Chandra, Asit K., Carl, Shaun A., Nguyen, Minh Tho (2005) Quantum chemical study of hydrogen abstraction reactions of the ethynyl radical with hydrogen compounds (C2H+HX). Journal of Molecular Structure: THEOCHEM, 732. 219-224 doi:10.1016/j.theochem.2005.07.023
Nguyen, Loc Thanh, De Proft, Frank, Cases Amat, Montserrat, Van Lier, Gregory, Fowler, Patrick W., Geerlings, Paul (2003) Local Softness versus Local Density of States as Reactivity Index. The Journal of Physical Chemistry A, 107 (35). 6837-6842 doi:10.1021/jp0343887
Bouchoux, Guy, Nguyen Minh Tho, , Longevialle, Pierre (1992) Unimolecular chemistry of protonated ethyl cyanide and ethyl isocyanide: an experimental and molecular orbital study. Journal Of The American Chemical Society, 114 (25) 10000-10005 doi:10.1021/ja00051a036
 
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