Browsing by Author Varandas, António Joaquim de Campos

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Issue DateTitleAuthor(s)TypeAccess
1-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
2001Ab initio theoretical calculation and potential energy surface for ground-state HO3Yu, H. G. ; Varandas, A. J. C. articleopenAccess
2006Accurate DMBE Potential Energy Surface For the N(2D) + H2(1S g+ ) Reaction Using an Improved Switching Function FormalismVarandas, A. ; Poveda, L. articleopenAccess
23-Apr-2009Accurate Double Many-Body Expansion Potential Energy Surface for the Lowest Singlet State of MethyleneJoseph, S. ; Varandas, A. J. C. articleopenAccess
2007Accurate global ab initio potentials at low-cost by correlation scaling and extrapolation to the one-electron basis set limitVarandas, A. J. C. articleopenAccess
2006Accurate MRCI study of ground-state N2H2 potential energy surfaceBiczysko, M. ; Poveda, L. A. ; Varandas, A. J. C. articleopenAccess
2012Accurate Potential Energy Surfaces and Beyond: Chemical Reactivity, Binding, Long-Range Interactions, and SpectroscopyBytautas, Laimutis; Bowman, Joel M.; Huang, Xinchuan; Varandas, António J. C. articleopenAccess
2-Oct-2003Accurate Single-Valued Double Many-Body Expansion Potential Energy Surface for Ground-State HN2Poveda, L. A. ; Varandas, A. J. C. articleopenAccess
2008Application of renormalized coupled-cluster methods to potential function of waterPiecuch, Piotr ; Wloch, Marta ; Varandas, António J. C. articleopenAccess
1-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
5-Feb-2004Are Vibrationally Excited Molecules a Clue for the “O3 Deficit Problem” and “HOx Dilemma” in the Middle Atmosphere?Varandas, A. J. C. articleopenAccess
31-May-2001Calculation of the Rovibrational Partition Function Using Classical Methods with Quantum CorrectionsPrudente, Frederico V. ; Riganelli, Antonio ; Varandas, António J. C. articleopenAccess
2008Can extrapolation to the basis set limit be an alternative to the counterpoise correction? A study on the helium dimerVarandas, A. articleopenAccess
1999Classical 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
10-Jul-1997Classical Trajectory Study of Mode Specificity and Rotational Effects in Unimolecular Dissociation of HO2Marques, J. M. C. ; Varandas, A. J. C. articleopenAccess
1999Comparative 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
2003Cone states of tri-hydrogen isotopomers and criterion for the geometric phase effectVarandas, A. J. C. ; Viegas, L. P. articleopenAccess
1999Dimensionality effects on transition state resonances for H+DH and D+HD reactive collisionsVarandas, A. J. C. ; Yu, H. G. articleopenAccess
2000Dinâmica reaccional de sistemas triatómicos e tetratómicos com relevância em química da atmosfera.Wang, Wenli doctoralThesisembargoedAccess
27-Jun-2002A Direct Evaluation of the Partition Function and Thermodynamic Data for Water at High TemperaturesPrudente, Frederico V. ; Varandas, António J. C. articleopenAccess