화학공학소재연구정보센터
검색결과 : 24건
No. Article
1 Energy Selection in Nonadiabatic Transitions
Granucci G, Melani G, Persico M, Van Leuven P
Journal of Physical Chemistry A, 122(2), 678, 2018
2 Theoretical Study of the Chemiluminescence of the Al + H2O Reaction
Alvarez-Barcia S, Flores JR, Granucci G, Persico M
Journal of Physical Chemistry A, 117(1), 67, 2013
3 Semiempirical Hamiltonian for Simulation of Azobenzene Photochemistry
Cusati T, Granucci G, Martinez-Nunez E, Martini F, Persico M, Vazquez S
Journal of Physical Chemistry A, 116(1), 98, 2012
4 Photodynamics and Time-Resolved Fluorescence of Azobenzene in Solution: A Mixed Quantum-Classical Simulation
Cusati T, Granucci G, Persico M
Journal of the American Chemical Society, 133(13), 5109, 2011
5 Potential energy surfaces of the first three singlet states of CH3Cl
Granucci G, Medders G, Velasco AM
Chemical Physics Letters, 500(4-6), 202, 2010
6 Absorption Oscillator Strengths for Vibronic Transitions of np pi Rydberg Series in NO
Velasco AM, Lavin C, Bustos E, Martin I, Granucci G, Persico M
Journal of Physical Chemistry A, 114(32), 8450, 2010
7 Photochemistry of DNA Fragments via Semiclassical Nonadiabatic Dynamics
Alexandrova AN, Tully JC, Granucci G
Journal of Physical Chemistry B, 114(37), 12116, 2010
8 The electronic mean field configuration interaction method: II -Improving guess geminals
Cassam-Chenai P, Granucci G
Chemical Physics Letters, 450(1-3), 151, 2007
9 The chromophore of asFP595: A theoretical study
Amat P, Granucci G, Buda F, Persico M, Tozzini V
Journal of Physical Chemistry B, 110(18), 9348, 2006
10 Semiempirical molecular dynamics investigation of the excited state lifetime of ethylene
Barbatti M, Granucci G, Persico M, Lischka H
Chemical Physics Letters, 401(1-3), 276, 2005