Author Search Results

1

A realistic hydroperoxo(~X2A") potential energy surface from the double many-body expansion method

by Varandas, A. J. C.

Published 1988

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2

Trajectory binning scheme and non-active treatment of zero-point energy leakage in quasi-classical dynamics

by Varandas, A. J. C.

Published 2007

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3

Extrapolating potential energy surfaces by scaling electron correlation at a single geometry

by Varandas, A. J. C.

Published 2006

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4

Accurate global ab initio potentials at low-cost by correlation scaling and extrapolation to the one-electron basis set limit

by Varandas, A. J. C.

Published 2007

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5

Are Vibrationally Excited Molecules a Clue for the “O3 Deficit Problem” and “HOx Dilemma” in the Middle Atmosphere?

by Varandas, A. J. C.

Published 2004

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6

Vibrational relaxation of highly excited HO2 in collisions with O2

by Varandas, A. J. C.

Published 2005

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7

New Double Many-Body Expansion Potential Energy Surface for Ground-State HCN from a Multiproperty Fit to Accurate ab Initio Energies and Rovibrational Calculations

by Varandas, A. J. C.

Published 2006

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8

Generalized Uniform Singlet- and Triplet-Pair Extrapolation of the Correlation Energy to the One Electron Basis Set Limit

by Varandas, A. J. C.

Published 2008

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9

An ab initio study of the interaction between He and C36 with extrapolation to the one electron basis set limit

by Varandas, A. J. C.

Published 2008

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10

A novel accurate representation of a double-valued potential energy surface by the DMBE method. Application to triplet H3+(a3E')

by Varandas, António J. C.

Published 2005

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11

Cone states of tri-hydrogen isotopomers and criterion for the geometric phase effect

by Varandas, A. J. C.

Published 2003

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12

On triplet tetraoxygen: ab initio study along minimum energy path and global modelling

by Varandas, A. J. C.

Published 2002

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13

A realistic double many-body expansion potential energy surface for from a multiproperty fit to accurate ab initio energies and vibrational levels

by Varandas, A. J. C.

Published 2002

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14

OH(v)+O3: Does chemical reaction dominate over non-reactive quenching?

by Varandas, A. J. C.

Published 2001

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15

Test studies on the potential energy surface and rate constant for the OH+O3 atmospheric reaction

by Varandas, A. J. C.

Published 2000

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16

On the interaction of two conical intersections: the H6 system

by Varandas, A. J. C.

Published 2000

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17

Is there a barrier for the C2v insertion reaction in O(1D)+H2? A test dynamics study based on two-valued energy-switching potential energy surfaces

by Varandas, A. J. C.

Published 2000

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18

Singularities in the Hamiltonian at electronic degeneracies

by Varandas, A. J. C.

Published 2000

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19

On the behavior of single-surface nuclear wavefunctions in the vicinity of the conical intersection for an X3 system

by Varandas, A. J. C.

Published 2000

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20

Dimensionality effects on transition state resonances for H+DH and D+HD reactive collisions

by Varandas, A. J. C.

Published 1999

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