Faculty of Sciences and Technology

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Organization name
Faculty of Sciences and Technology
Director
Parent OrgUnit
Established
01-03-1290
 
City
Coimbra
Country
Portugal

OrgUnit's Researchers publications
(Dept/Workgroup Publication)

Refined By:
Author:  Varandas, António J. C.

Results 1-20 of 102 (Search time: 0.002 seconds).

Issue DateTitleAuthor(s)TypeAccess
11-Sep-2008An ab initio study of the interaction between He and C36 with extrapolation to the one electron basis set limitVarandas, A. J. C. articleopenAccess
22001Ab initio theoretical calculation and potential energy surface for ground-state HO3Yu, H. G. ; Varandas, A. J. C. articleopenAccess
32006Accurate DMBE Potential Energy Surface For the N(2D) + H2(1S g+ ) Reaction Using an Improved Switching Function FormalismVarandas, A. ; Poveda, L. articleopenAccess
423-Apr-2009Accurate Double Many-Body Expansion Potential Energy Surface for the Lowest Singlet State of MethyleneJoseph, S. ; Varandas, A. J. C. articleopenAccess
52007Accurate global ab initio potentials at low-cost by correlation scaling and extrapolation to the one-electron basis set limitVarandas, A. J. C. articleopenAccess
62006Accurate MRCI study of ground-state N2H2 potential energy surfaceBiczysko, M. ; Poveda, L. A. ; Varandas, A. J. C. articleopenAccess
72012Accurate Potential Energy Surfaces and Beyond: Chemical Reactivity, Binding, Long-Range Interactions, and SpectroscopyBytautas, Laimutis; Bowman, Joel M.; Huang, Xinchuan; Varandas, António J. C. articleopenAccess
82-Oct-2003Accurate Single-Valued Double Many-Body Expansion Potential Energy Surface for Ground-State HN2Poveda, L. A. ; Varandas, A. J. C. articleopenAccess
92008Application of renormalized coupled-cluster methods to potential function of waterPiecuch, Piotr ; Wloch, Marta ; Varandas, António J. C. articleopenAccess
101-Apr-1999Approximate Quantum Mechanical Cross Sections and Rate Constants for the H + O3 Atmospheric Reaction Using Novel Elastic Optimum Angle Adiabatic ApproachesSzichman, H. ; Varandas, A. J. C. articleopenAccess
115-Feb-2004Are Vibrationally Excited Molecules a Clue for the “O3 Deficit Problem” and “HOx Dilemma” in the Middle Atmosphere?Varandas, A. J. C. articleopenAccess
1231-May-2001Calculation of the Rovibrational Partition Function Using Classical Methods with Quantum CorrectionsPrudente, Frederico V. ; Riganelli, Antonio ; Varandas, António J. C. articleopenAccess
132008Can extrapolation to the basis set limit be an alternative to the counterpoise correction? A study on the helium dimerVarandas, A. articleopenAccess
1415-Jun-2023Carbon-[n]Triangulenes and Sila-[n]Triangulenes: Which Are Planar?Varandas, A. J. C. articleopenAccess
151999Classical canonical transformation theory as a tool to describe multidimensional tunnelling in reactive scattering. Hopping method revisited and collinear H+H2 exchange reaction near the classical thresholdMil'nikov, Gennady V. ; Varandas, António J. C. articleopenAccess
1610-Jul-1997Classical Trajectory Study of Mode Specificity and Rotational Effects in Unimolecular Dissociation of HO2Marques, J. M. C. ; Varandas, A. J. C. articleopenAccess
171999Comparative trajectory surface hopping study for the Li+Li2(X1g+), Na+Li2(X1g+) and Li+Na2(X1g+) dissociation reactionsMarques, J. M. C. ; Voronin, A. I. ; Varandas, A. J. C. articleopenAccess
182003Cone states of tri-hydrogen isotopomers and criterion for the geometric phase effectVarandas, A. J. C. ; Viegas, L. P. articleopenAccess
191999Dimensionality effects on transition state resonances for H+DH and D+HD reactive collisionsVarandas, A. J. C. ; Yu, H. G. articleopenAccess
2027-Jun-2002A Direct Evaluation of the Partition Function and Thermodynamic Data for Water at High TemperaturesPrudente, Frederico V. ; Varandas, António J. C. articleopenAccess