Ab Initio Quantum Chemical Studies of the Formaldiminoxy (CH2NO) Radical:  1. Isomerization Reactions

Warwick A. Shapley; George B. Bacskay

doi:10.1021/jp984817e

Ab Initio Quantum Chemical Studies of the Formaldiminoxy (CH2NO) Radical: 1. Isomerization Reactions

The Journal of Physical Chemistry A ◽

10.1021/jp984817e ◽

1999 ◽

Vol 103 (23) ◽

pp. 4505-4513 ◽

Cited By ~ 10

Author(s):

Warwick A. Shapley ◽

George B. Bacskay

Keyword(s):

Ab Initio ◽

Quantum Chemical ◽

Chemical Studies ◽

Quantum Chemical Studies

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Ab Initio Quantum Chemical Studies of Reactions in Astrophysical Ices 3. Reactions of HOCH2NH2Formed in H2CO/NH3/H2O Ices

The Journal of Physical Chemistry A ◽

10.1021/jp011830h ◽

2001 ◽

Vol 105 (41) ◽

pp. 9478-9481 ◽

Cited By ~ 36

Author(s):

David E. Woon

Keyword(s):

Ab Initio ◽

Quantum Chemical ◽

Chemical Studies ◽

Quantum Chemical Studies ◽

Astrophysical Ices

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Steric effects in the intramolecular carboxyl-catalyzed hydrolysis of sulfonamides. Ab initio quantum chemical studies of the pentacoordinated sulfur intermediate

Journal of the American Chemical Society ◽

10.1021/ja00405a033 ◽

1981 ◽

Vol 103 (15) ◽

pp. 4490-4494 ◽

Cited By ~ 10

Author(s):

Teun Graafland ◽

Wim C. Nieuwpoort ◽

Jan B. F. N. Engberts

Keyword(s):

Ab Initio ◽

Quantum Chemical ◽

Steric Effects ◽

Chemical Studies ◽

Quantum Chemical Studies ◽

Hydrolysis Of

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Protonation and Deprotonation Reaction of Aspartic Acid Side Chain Modulated by the Surrounding Dielectric Medium - AB Initio Quantum Chemical Studies on Aspartic Acid in Sixteen Different Solvents and Two Protein Structures

Biophysical Journal ◽

10.1016/j.bpj.2015.11.2055 ◽

2016 ◽

Vol 110 (3) ◽

pp. 380a-381a

Author(s):

Akshay Bhatnagar ◽

Sruthi Varanasi ◽

Dhruv Pramod Ghiya ◽

Chaitanya Gali Sai Ganesh ◽

Debashree Bandyopadhyay

Keyword(s):

Ab Initio ◽

Aspartic Acid ◽

Quantum Chemical ◽

Protein Structures ◽

Dielectric Medium ◽

Side Chain ◽

Deprotonation Reaction ◽

Chemical Studies ◽

Quantum Chemical Studies

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Cluster Models for Calcite Surfaces: Ab Initio Quantum Chemical Studies

The Journal of Physical Chemistry B ◽

10.1021/jp990793f ◽

1999 ◽

Vol 103 (32) ◽

pp. 6734-6740 ◽

Cited By ~ 6

Author(s):

Henna Ruuska ◽

Pipsa Hirva ◽

Tapani A. Pakkanen

Keyword(s):

Ab Initio ◽

Quantum Chemical ◽

Cluster Models ◽

Chemical Studies ◽

Quantum Chemical Studies

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Decision letter for "Ab initio quantum chemical studies of isotopic fractionation during acid digestion reaction of dolomite for clumped isotope application"

10.1002/rcm.8926/v2/decision1 ◽

2020 ◽

Keyword(s):

Ab Initio ◽

Quantum Chemical ◽

Isotopic Fractionation ◽

Acid Digestion ◽

Chemical Studies ◽

Quantum Chemical Studies ◽

Clumped Isotope

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Review for "Ab initio quantum chemical studies of isotopic fractionation during acid digestion reaction of dolomite for clumped isotope application"

10.1002/rcm.8926/v1/review2 ◽

2020 ◽

Author(s):

Halua Pinto de Magalhães

Keyword(s):

Ab Initio ◽

Quantum Chemical ◽

Isotopic Fractionation ◽

Acid Digestion ◽

Chemical Studies ◽

Quantum Chemical Studies ◽

Clumped Isotope

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Review for "Ab initio quantum chemical studies of isotopic fractionation during acid digestion reaction of dolomite for clumped isotope application"

10.1002/rcm.8926/v1/review1 ◽

2020 ◽

Keyword(s):

Ab Initio ◽

Quantum Chemical ◽

Isotopic Fractionation ◽

Acid Digestion ◽

Chemical Studies ◽

Quantum Chemical Studies ◽

Clumped Isotope

Download Full-text

Decision letter for "Ab initio quantum chemical studies of isotopic fractionation during acid digestion reaction of dolomite for clumped isotope application"

10.1002/rcm.8926/v1/decision1 ◽

2020 ◽

Keyword(s):

Ab Initio ◽

Quantum Chemical ◽

Isotopic Fractionation ◽

Acid Digestion ◽

Chemical Studies ◽

Quantum Chemical Studies ◽

Clumped Isotope

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Ab initio quantum chemical studies of cluster models for doped anatase and rutile TiO2

Journal of Molecular Structure THEOCHEM ◽

10.1016/s0166-1280(03)00108-8 ◽

2003 ◽

Vol 626 (1-3) ◽

pp. 271-277 ◽

Cited By ~ 37

Author(s):

Saila Karvinen ◽

Pipsa Hirva ◽

Tapani A Pakkanen

Keyword(s):

Ab Initio ◽

Quantum Chemical ◽

Cluster Models ◽

Rutile Tio2 ◽

Chemical Studies ◽

Quantum Chemical Studies

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Ab Initio Quantum Chemical Studies of Six-Center Bond Exchange Reactions Among Halogen and Halogen Halide Molecules

Computational Science – ICCS 2007 - Lecture Notes in Computer Science ◽

10.1007/978-3-540-72586-2_48 ◽

2007 ◽

pp. 335-338

Author(s):

I. Noorbatcha ◽

B. Arifin ◽

S. M. Zain

Keyword(s):

Ab Initio ◽

Quantum Chemical ◽

Exchange Reactions ◽

Chemical Studies ◽

Quantum Chemical Studies

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