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Results: 1-25/47
Authors:
Zhang, L
Varandas, AJC
Citation: L. Zhang et Ajc. Varandas, Dynamics of the OH(v=1,2,4)+O-3 atmospheric reaction, PHYS CHEM P, 3(8), 2001, pp. 1439-1445
Authors:
Marques, JMC
Varandas, AJC
Citation: Jmc. Marques et Ajc. Varandas, On the high pressure rate constants for the H/Mu+O-2 addition reactions, PHYS CHEM P, 3(4), 2001, pp. 505-507
Authors:
Urbano, APA
Prudente, FV
Riganelli, A
Varandas, AJC
Citation: Apa. Urbano et al., Vibrational partition functions for atom-diatom and atom-triatom van der Waals systems, PHYS CHEM P, 3(22), 2001, pp. 5000-5005
Authors:
Marques, JMC
Varandas, AJC
Citation: Jmc. Marques et Ajc. Varandas, Reply to the 'Comment on "On the high pressure rate constants for the H/Mu+O-2 addition reactions''' by L. B. Harding, J. Troe and V. G. Ushakov, Phys. Chem. Chem. Phys., 2001, 3, 2630, PHYS CHEM P, 3(13), 2001, pp. 2632-2633
Authors:
Zhang, L
Varandas, AJC
Citation: L. Zhang et Ajc. Varandas, Dynamics study of the O-2(v)+HO2 atmospheric reaction, J PHYS CH A, 105(45), 2001, pp. 10347-10355
Authors:
Riganelli, A
Prudente, FV
Varandas, AJC
Citation: A. Riganelli et al., On the rovibrational partition function of molecular hydrogen at high temperatures, J PHYS CH A, 105(41), 2001, pp. 9518-9521
Authors:
Caridade, PJSB
Betancourt, M
Garrido, JD
Varandas, AJC
Citation: Pjsb. Caridade et al., Dynamics study of the OH+O-2 branching atmospheric reaction. 3. Dissociation in collisions of vibrationally excited reactants, J PHYS CH A, 105(31), 2001, pp. 7435-7440
Authors:
Martinez-Nunez, E
Varandas, AJC
Citation: E. Martinez-nunez et Ajc. Varandas, Single-valued DMBE potential energy surface for HSO: A distributed n-body polynomial approach, J PHYS CH A, 105(24), 2001, pp. 5923-5932
Calculation of the rovibrational partition function using classical methods with quantum corrections
Authors:
Prudente, FV
Riganelli, A
Varandas, AJC
Citation: Fv. Prudente et al., Calculation of the rovibrational partition function using classical methods with quantum corrections, J PHYS CH A, 105(21), 2001, pp. 5272-5279
Authors:
Caridade, PJSB
Zhang, L
Garrido, JD
Varandas, AJC
Citation: Pjsb. Caridade et al., Dynamics study of the OH+O-2 branching atmospheric reaction. 2. Influence of reactants internal energy in HO2 and O-3 formation, J PHYS CH A, 105(18), 2001, pp. 4395-4402
Authors:
Xu, ZR
Varandas, AJC
Citation: Zr. Xu et Ajc. Varandas, Vibrational calculations for the HD2 first-excited electronic state using a coordinate-transformation technique, J PHYS CH A, 105(11), 2001, pp. 2246-2250
Authors:
Friedrich, O
Alijah, A
Xu, ZR
Varandas, AJC
Citation: O. Friedrich et al., Bound ro-vibronic states of triplet H-3+, PHYS REV L, 86(7), 2001, pp. 1183-1186
Authors:
Borges, I
Caridade, PJSB
Varandas, AJC
Citation: I. Borges et al., Potential energy curves for X (1)Sigma+ and A (1)Pi states of CO: The A (1)Pi (v '=1-23) <- X (1)Sigma+ (v ''=0, 1) transitions, J MOL SPECT, 209(1), 2001, pp. 24-29
Authors:
Xu, ZR
Varandas, AJC
Citation: Zr. Xu et Ajc. Varandas, Nuclear dynamics in the vicinity of a crossing seam: Vibrational spectrum of HD2 revisited, INT J QUANT, 83(5), 2001, pp. 279-285
Authors:
Varandas, AJC
Zhang, L
Citation: Ajc. Varandas et L. Zhang, OH(nu)+O-3: Does chemical reaction dominate over nonreactive quenching?, CHEM P LETT, 340(1-2), 2001, pp. 62-70
Authors:
Varandas, AJC
Caridade, PJSB
Citation: Ajc. Varandas et Pjsb. Caridade, The OH(nu ')+O-2(upsilon '') reaction: a new source of stratospheric ozone?, CHEM P LETT, 339(1-2), 2001, pp. 1-8
Authors:
Yu, HG
Varandas, AJC
Citation: Hg. Yu et Ajc. Varandas, Ab initio theoretical calculation and potential energy surface for ground-state HO3, CHEM P LETT, 334(1-3), 2001, pp. 173-178
Authors:
Rodrigues, SPJ
Varandas, AJC
Citation: Spj. Rodrigues et Ajc. Varandas, On the variation of the electric quadrupole moment with internuclear distance and the atom-diatom long-range electrostatic interaction energy, PCCP PHYS C, 2(4), 2000, pp. 435-439
Authors:
Riganelli, A
Prudente, FV
Varandas, AJC
Citation: A. Riganelli et al., Evaluation of vibrational partition functions for polyatomic systems: quantum versus classical methods for H2O and Ar center dot center dot center dot CN, PHYS CHEM P, 2(18), 2000, pp. 4121-4129
Authors:
Marques, JMC
Llanio-Trujillo, JL
Varandas, AJC
Citation: Jmc. Marques et al., Isotope effect on unimolecular dissociation of MuO(2): a classical trajectory study, PHYS CHEM P, 2(16), 2000, pp. 3583-3589
Authors:
Abreu, PE
Varandas, AJC
Citation: Pe. Abreu et Ajc. Varandas, First principles calculation of the potential energy surface for the lowest-quartet state of H-3 and modelling by the double many-body expansion method, PHYS CHEM P, 2(11), 2000, pp. 2471-2480
Authors:
Pena-Gallego, A
Abreu, PE
Varandas, AJC
Citation: A. Pena-gallego et al., MRCI calculation, scaling of the external correlation, and modeling of potential energy curves for HCl and OCl, J PHYS CH A, 104(26), 2000, pp. 6241-6246
Authors:
Varandas, AJC
Xu, ZR
Citation: Ajc. Varandas et Zr. Xu, Singularities in the Hamiltonian at electronic degeneracies, CHEM PHYS, 259(2-3), 2000, pp. 173-179
Authors:
Varandas, AJC
Citation: Ajc. Varandas, Four-atom bimolecular reactions with relevance in environmental chemistry:theoretical work, INT R PH CH, 19(2), 2000, pp. 199-245
Authors:
Boggio-Pasqua, M
Voronin, AI
Halvick, P
Rayez, JC
Varandas, AJC
Citation: M. Boggio-pasqua et al., Coupled ab initio potential energy surfaces for the two lowest (2)A ' electronic states of the C2H molecule, MOLEC PHYS, 98(23), 2000, pp. 1925-1938