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Study of the Mechanism of the N−CO Photodissociation in N,N-Dimethylformamide by Direct Trajectory Surface Hopping Simulations
The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2009-11, Vol.113 (45), p.12582-12590
2009
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Generation and Dissociation Pathways of Singly and Doubly Protonated Bisguanidines in the Gas Phase
The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2008-11, Vol.112 (47), p.12097-12103
2008
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The Isomerization Barrier in Cyanocyclobutadienes: An ab Initio Multireference Average Quadratic Coupled Cluster Study
The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2009-07, Vol.113 (29), p.8351-8358
2009
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Photoinduced rearrangement of aromatic N-chloroamides to chloroaromatic amides in the solid state: inverted Π(N)-Σ(N) occupational stability of amidyl radicals
The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2011-07, Vol.115 (26), p.7834-7848
2011
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Photoinduced Rearrangement of Aromatic N-Chloroamides to Chloroaromatic Amides in the Solid State: Inverted ΠN–ΣN Occupational Stability of Amidyl Radicals
The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2011-07, Vol.115 (26), p.7834-7848
2011
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Correction to “Photoinduced Rearrangement of Aromatic N-Chloroamides to Chloroaromatic Amides in the Solid State. Inverted ΠN–ΣN Occupational Stability of Amidyl Radicals”
The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2011-07, Vol.115 (28), p.8181-8181
2011
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Periodic Trends in Bond Dissociation Energies. A Theoretical Study
The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2005-05, Vol.109 (19), p.4359-4365
2005
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In Pursuit of the Elusive Bond-Stretch Isomers by ab Initio MethodsBenzocyclobutene, Benzo[1,2:4,5]dicyclobutadiene, and Some Related Substituted Systems
The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2003-12, Vol.107 (48), p.10396-10405
2003
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Methyl Cation Affinity vs Proton Affinity in Substituted Benzenes:  An ab Initio Study
The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 1998-04, Vol.102 (17), p.2981-2987
1998
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Ab Initio MR-CISD Study of Gas-Phase Basicity of Formamide in the First Excited Singlet State
The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2004-11, Vol.108 (46), p.10317-10325
2004
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In Pursuit of the Elusive Bond-Stretch Isomers by ab Initio MethodsBenzocyclobutene, Benzo[1,2:4,5]dicyclobutadiene, and Some Related Substituted Systems
The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2003-12, Vol.107 (48), p.10396-10405
2003
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