J. Brandão

发表

Atmospheric Reaction , O ( 1 D ) + H 2

C. Rio, J. Brandão, Wenli Wang, 2008 .

Experimental and theoretical studies of the gas-phase reactions of O(1D) with H2O and D2O at low temperature.

S. Bhowmick, Y. V. Suleimanov, K. Hickson, 2021, Physical chemistry chemical physics : PCCP.

Long-range interactions within the H2O molecule

C. Rio, J. Brandão, 2003 .

The branching ratio of the O(1D) + HD reaction: A dynamical study

C. Rio, J. Brandão, 2007 .

A realistic HFACE potential function for Kr2 (X1Σg+) from spectroscopic and thermophysical data

A. Varandas, J. Brandão, J.Dias Da Silva, 1988 .

Building symmetric polynomials to fit a potential energy surface: application to an A$$_2$$2B$$_2$$2 molecule

J. Brandão, D. Coelho, 2014 .

Double-valued potential energy surface for H2O derived from accurate ab initio data and including long-range interactions

C. Rio, J. Brandão, 2003 .

Dynamics of the O(3P) + H2 reaction at low temperatures: comparison of quasiclassical trajectory with quantum scattering calculations.

P. Weck, N. Balakrishnan, J. Brandão, 2006, The Journal of chemical physics.

Potential energy surface for H2O(3A″) from accurate ab initio data with inclusion of long-range interactions

César Mogo, J. Brandão, B. C. Silva, 2004 .

Consistent calculation of diabatic energies and diabatic coupling terms in the van der Waals region: Application to the O(3P)⋯H21Σg+ system

J. Brandão, C. Rosa, 2012 .

Theoretical rate coefficients for the exchange reaction OH + D--> OD + H.

J. Brandão, Wenli Wang, E. Santos, 2006, The Journal of chemical physics.

Quasiclassical trajectory calculations of the thermal rate coefficients for the reactions H(D)+O2→OH(D)+O and O+OH(D)→O2+H(D) as a function of temperature

A. Varandas, J. Brandão, M. R. Pastrana, 1992 .

A simple semi-empirical approach to the intermolecular potential of van der Waals systems

A. Varandas, J. Brandão, 1982 .

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

A. Varandas, J. Brandão, L. Quintales, 1988 .

A double many-body expansion of molecular potential energy functions

A. Varandas, J. Brandão, 1986 .

Theoretical studies on the O(3P) + H2 → OH + H reaction

João Brandão, Wenli Wang, Carla Rosa, 2006 .

Recalibration of a single-valued double many-body expansion potential energy surface for ground-state hydroperoxy and dynamics calculations for the oxygen atom + hydroxyl .fwdarw. oxygen + hydrogen atom reaction

A. Varandas, J. Brandão, L. Quintales, 1990 .

Quasiclassical study of a termolecular reaction: application to the HO2 collisional stabilization process

C. Rio, César Mogo, J. Brandão, 2022, Computational and Theoretical Chemistry.

A modified potential for HO2 with spectroscopic accuracy.

J. Tennyson, C. Rio, J. Brandão, 2009, The Journal of chemical physics.

A full dimensional potential for H2O2 (X1A) covering all dissociation channels.

J. Brandão, D. Coelho, 2017, Physical chemistry chemical physics : PCCP.

An important well studied atmospheric reaction, O (1D) + H2

C. Rio, J. Brandão, Wenli Wang, 2008 .

Dynamical studies and product analysis of O(1D) + H2/D2 reactions

C. Rio, J. Brandão, 2007 .

Quasiclassical and capture studies on the O (1D) + H2 → OH + H reaction using a new potential energy surface for H2O

C. Rio, J. Brandão, 2003 .

Quasiclassical trajectory calculations of the H + O2 and O + OH reactions on spectroscopically accurate modified DMBE IV PESs

C. Rio, J. Brandão, Wenli Wang, 2010 .

Internal energy and temperature of a carbon nanotube

César Mogo, J. Brandão, D. Coelho, 2022, Fullerenes, Nanotubes and Carbon Nanostructures.

The rational fraction representation of diatomic potentials

A. Varandas, J. Murrell, J. Brandão, 1987 .

Theory of Gas Phase Scattering and Reactivity for Astrochemistry

P. Caselli, L. Bizzocchi, W. Thi, 2016, 1610.00438.

Isotopic effect in the O(1D) + DH reaction and H + OD OH + D equilibrium.

C. Rio, J. Brandão, Wenli Wang, 2005 .

Using the reactions O+H 2 OH+H to explore the importance of the atomic quantum states on chemical kinetics and reaction dynamics

C. Rio, J. Brandão, Wenli Wang, 2015 .

A modified potential for HO2 with spectroscopic accuracy.

J. Tennyson, C. Rio, J. Brandão, 2009, The Journal of chemical physics.

The READY program: Building a global potential energy surface and reactive dynamic simulations for the hydrogen combustion

César Mogo, J. Brandão, 2014, J. Comput. Chem..