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Identificadas 180

111

TITLE: Benchmarking of Density Functionals for the Accurate Description of Thiol-Disulfide Exchange Full Text
AUTHORS: Neves, Rui P. P. ; Pedro A Fernandes ; Antonio J C Varandas; Maria J Ramos ;
PUBLISHED: 2014, SOURCE: JOURNAL OF CHEMICAL THEORY AND COMPUTATION, VOLUME: 10, ISSUE: 11

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112

TITLE: Narrowing the error in electron correlation calculations by basis set re-hierarchization and use of the unified singlet and triplet electron-pair extrapolation scheme: Application to a test set of 106 systems Full Text
AUTHORS: Varandas, AJC; Pansini, FNN;
PUBLISHED: 2014, SOURCE: JOURNAL OF CHEMICAL PHYSICS, VOLUME: 141, ISSUE: 22

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113

TITLE: Putting together the pieces: A global description of valence and long-range forces via combined hyperbolic inverse power representation of the potential energy surface
AUTHORS: Varandas, AJC;
PUBLISHED: 2014, SOURCE: RSC Theoretical and Computational Chemistry Series

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114

TITLE: Dynamics of the O plus CIO Reaction: Reactive and Vibrational Relaxation Processes
AUTHORS: Teixeira, OBM; Caridade, PJSB; Mota, VC; Garcia de la Vega, JMG; Varandas, AJC;
PUBLISHED: 2014, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY A, VOLUME: 118, ISSUE: 51

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115

TITLE: Carbon Dioxide Capture with the Ozone-like Polynitrogen Molecule Li3N3
AUTHORS: Miguel Torrent Sucarrat; Antonio J C Varandas;
PUBLISHED: 2014, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY A, VOLUME: 118, ISSUE: 51

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116

TITLE: Quasiclassical Trajectory Study of the Atmospheric Reaction N( 2 D ) + NO( X 2 Π) → O( 1 D ) + N 2 ( X 1 Σ g + )
AUTHORS: Jing Li; Pedro J S B Caridade; António J C Varandas;
PUBLISHED: 2014, SOURCE: J. Phys. Chem. A - The Journal of Physical Chemistry A, VOLUME: 118, ISSUE: 8

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117

TITLE: Electronic Quenching in N( 2 D) + N 2 Collisions: A State-Specific Analysis via Surface Hopping Dynamics Full Text
AUTHORS: Galvão, BRL; Braga, JP; Belchior, JC; Varandas, AJC;
PUBLISHED: 2014, SOURCE: J. Chem. Theory Comput. - Journal of Chemical Theory and Computation, VOLUME: 10, ISSUE: 5

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118

TITLE: Carbon Dioxide Capture with the Ozone-like Polynitrogen Molecule Li 3 N 3
AUTHORS: Miquel Torrent-Sucarrat; António J C Varandas;
PUBLISHED: 2014, SOURCE: J. Phys. Chem. A - The Journal of Physical Chemistry A, VOLUME: 118, ISSUE: 51

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119

TITLE: Coupled 3D Time-Dependent Wave-Packet Approach in Hyperspherical Coordinates: Application to the Adiabatic Singlet-State (1<SUP>1</SUP>A′) D<SUP>+</SUP> + H<sub>2</sub> Reaction (vol 118, pg 4837, 2014)
AUTHORS: Sahoo, T; Ghosh, S; Adhikari, S; Sharma, R; Varandas, AJC;
PUBLISHED: 2014, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY A, VOLUME: 118, ISSUE: 33

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120

TITLE: Correction to “Coupled 3D Time-Dependent Wave-Packet Approach in Hyperspherical Coordinates: Application to the Adiabatic Singlet-State (11A′) D+ + H2 Reaction”
AUTHORS: Tapas Sahoo; Sandip Ghosh; Satrajit Adhikari; Rahul Sharma; António J C Varandas;
PUBLISHED: 2014, SOURCE: The Journal of Physical Chemistry A, VOLUME: 118, ISSUE: 33

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