P. Defazio

发表

Quantum dynamics of the C(1D)+HD and C(1D)+n-D2 reactions on the ã 1A' and b 1A" surfaces.

P. Gamallo, S. Akpinar, B. Bussery-Honvault, 2010, The Journal of chemical physics.

Renner-Teller quantum dynamics of the N(2D) + H2-->NH + H reaction.

P. Defazio, C. Petrongolo, 2006, The Journal of chemical physics.

Coriolis coupling effects on the initial-state-resolved dynamics of the N(2D)+H2-->NH+H reaction.

P. Defazio, C. Petrongolo, 2007, The Journal of chemical physics.

Renner-Teller coupled-channel dynamics of the N(2D)+H2 reaction and the role of the NH2 A2A1 electronic state.

P. Gamallo, Miguel A González, P. Defazio, 2008, The Journal of chemical physics.

Born-Oppenheimer and Renner-Teller coupled-channel quantum dynamics of the N(2D) + HD reactions.

P. Gamallo, P. Defazio, 2009, The Journal of chemical physics.

Born-Oppenheimer quantum dynamics of the C((1)D)+H(2) reaction on the CH(2) ã (1)A(1) and b (1)B(1) surfaces.

B. Bussery-Honvault, P. Honvault, P. Defazio, 2009, The Journal of chemical physics.

Nonadiabatic quantum dynamics of C(1D)+H2→CH+H: coupled-channel calculations including Renner-Teller and Coriolis terms.

B. Bussery-Honvault, P. Honvault, P. Defazio, 2011, The Journal of chemical physics.

Quantum mechanical and quasiclassical Born–Oppenheimer dynamics of the reaction N2X1Σg++O3P→N(4S)+NOX2Π on the N2O a∼3A″ and b∼3A′ surfaces

P. Gamallo, S. Akpinar, R. Sayós, 2012 .

C 2 Quantum and semiclassical formulations based on overlap integrals for nonadiabatic dynamics : “ Rigorous ” surface hopping

P. Gamallo, M. Paniagua, Miguel A González, 2013 .

Conical-intersection quantum dynamics of OH(A2Σ+) + H(2S) collisions.

P. Gamallo, S. Akpinar, P. Defazio, 2013, The Journal of chemical physics.

Born-Oppenheimer and Renner-Teller coupled-channel quantum reaction dynamics of O((3)P) + H2(+)(X(2)Σg(+)) collisions.

P. Gamallo, M. Paniagua, Miguel A González, 2015, Physical chemistry chemical physics : PCCP.

Quantum calculations of nonadiabatic 2A1–2B2 conical-intersection effects in the reactions N(4S)+O2(X3Σg-) and N(4S) + O2(A3Δu)

S. Akpinar, P. Defazio, C. Petrongolo, 2010 .

Born-Oppenheimer and Renner-Teller Quantum Dynamics of CH(X(2)Π) + D((2)S) Reactions on Three CHD Potential Surfaces.

P. Gamallo, S. Akpinar, P. Defazio, 2015, The journal of physical chemistry. A.

Product distributions, rate constants, and mechanisms of LiH+H reactions.

P. Gamallo, Miguel A González, P. Defazio, 2005, The Journal of chemical physics.

Wave packet dynamics of the N(4S)+O2(X 3Σg−)→NO(X 2Π)+O(3P) reaction on the X 2A′ potential energy surface

S. Gray, P. Defazio, C. Petrongolo, 2001 .

Quantum dynamics of the reaction H((2)S) + HeH(+)(X(1)Σ(+)) → H2(+)(X(2)Σg(+)) + He((1)S) from cold to hyperthermal energies: time-dependent wavepacket study and comparison with time-independent calculations.

P. Gamallo, S. Akpinar, P. Defazio, 2014, The journal of physical chemistry. A.

Adiabatic quantum dynamics of CH(X2Π) + H(2S) reactions on the CH2(X̃3A″) surface and role of the excited electronic states.

P. Gamallo, S. Akpinar, P. Defazio, 2012, The journal of physical chemistry. A.

Nonadiabatic dynamics of O(1D) + N2(X1Σg+) → O(3P) + N2(X1Σg+) on three coupled potential surfaces: symmetry, Coriolis, spin-orbit, and Renner-Teller effects.

P. Gamallo, P. Defazio, C. Petrongolo, 2012, The Journal of chemical physics.

Time dependent quantum dynamics study of the Ne + H2(+)(v0 = 0-4, j0 = 1) → NeH(+) + H proton transfer reaction, including the Coriolis coupling. A system with oscillatory cross sections.

P. Gamallo, Miguel A González, P. Defazio, 2011, The journal of physical chemistry. A.

Quantum dynamics of Renner-Teller and isotopic effects in NH(a1Δ) + D(2S) reactions.

P. Gamallo, S. Akpinar, P. Defazio, 2011, Physical chemistry chemical physics : PCCP.

Quantum dynamics of NH(a(1)Delta)+H reactions on the NH(2) A (2)A(1) surface.

P. Gamallo, S. Akpinar, P. Defazio, 2008, The Journal of chemical physics.

Searching for resonances in the reaction Cl+CH4-->HCl+CH3: quantum versus quasiclassical dynamics and comparison with experiments.

Miguel A González, P. Defazio, C. Petrongolo, 2007, The Journal of chemical physics.

Quantum dynamics of the N(4S)+O2 reaction on the X 2A′ and a 4A′ surfaces: Reaction probabilities, cross sections, rate constants, and product distributions

Miguel González, Carlo Petrongolo, R. Sayós, 2002 .

DYNAMICS OF THE N(2D)+H2 REACTION ON THE $\tilde{X}^2 A^{\prime\prime}$ SURFACE, PROPAGATING REAL WAVE PACKETS WITH AN ARCCOS MAPPING OF THE HAMILTONIAN

P. Defazio, C. Petrongolo, 2003 .

Quantum real wave-packet dynamics of the N(S4)+NO(X̃Π2)→N2(X̃Σg+1)+O(P3) reaction on the ground and first excited triplet potential energy surfaces: Rate constants, cross sections, and product distributions

Pablo Gamallo, Miguel González, Carlo Petrongolo, 2006 .

Quantum real wave-packet dynamics of the N(4S)+NO(X2Pi)-->N2(X1Sigma(g)+)+O(3P) reaction on the ground and first excited triplet potential energy surfaces: rate constants, cross sections, and product distributions.

P. Gamallo, R. Sayós, Miguel A González, 2006, Journal of Chemical Physics.

A quantum dynamics study of D2 + OH → DOH + D on the wslfh potential energy function

Stephen K. Gray, S. Gray, P. Defazio, 2003 .

Nonadiabatic Renner-Teller quantum dynamics of OH(X2Π) + H+ reactive collisions.

P. Gamallo, S. Akpinar, P. Defazio, 2017, Physical chemistry chemical physics : PCCP.

Rotational, steric, and coriolis effects on the F + HCl --> HF + Cl reaction on the 1(2)A' ground-state surface.

P. Defazio, C. Petrongolo, 2009, The journal of physical chemistry. A.