Ab initio quantum molecular dynamics

[51] TIME-DEPENDENT THEORETICAL TREATMENTS OF THE DYNAMICS OF ELECTRONS AND NUCLEI IN MOLECULAR-SYSTEMS [J]. REVIEWS OF MODERN PHYSICS, 1994, 66 (03) : 917 - 983

[52] GROUND STATES OF CONJUGATED MOLECULES .9. HYDROCARBON RADICALS AND RADICAL IONS [J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1968, 90 (08) : 1953 - &

[53] MOLECULAR-ORBITAL THEORY OF ELECTRONIC-STRUCTURE OF ORGANIC COMPOUNDS .9. STUDY OF -]PI] TRANSITION ENERGIES IN SMALL MOLECULES [J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1972, 94 (03) : 703 - +

[54] LIH POTENTIAL CURVES AND WAVEFUNCTIONS FOR X1SIGMA+, A1SIGMA+, B1PI,3SIGMA+, AND 3PI [J]. JOURNAL OF CHEMICAL PHYSICS, 1972, 57 (11) : 4928 - &

[55] DIRECT CONSTRUCTION OF DIABATIC STATES IN THE CASSCF APPROACH - APPLICATION TO THE CONICAL INTERSECTION OF THE (1)A(2) AND B-1(1) EXCITED-STATES OF OZONE [J]. CHEMICAL PHYSICS LETTERS, 1993, 216 (3-6) : 362 - 368

[56] Simulation of coherent nonadiabatic dynamics using classical trajectories [J]. JOURNAL OF PHYSICAL CHEMISTRY A, 1998, 102 (23) : 4291 - 4300

[57] Dunning T.H., 1977, Modern theoretical chemistry, V3, P1, DOI DOI 10.1007/978-1-4757-0887-5_1

[58] GAUSSIAN-BASIS SETS FOR USE IN CORRELATED MOLECULAR CALCULATIONS .1. THE ATOMS BORON THROUGH NEON AND HYDROGEN [J]. JOURNAL OF CHEMICAL PHYSICS, 1989, 90 (02) : 1007 - 1023

[59] A THEORETICAL-STUDY OF THE ROLE OF VALENCE AND RYDBERG STATES IN THE PHOTOCHEMISTRY OF ETHYLENE [J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1981, 103 (25) : 7414 - 7422

[60] Ultrafast internal conversion and fragmentation in electronically excited C2H4 and C2H3Cl molecules [J]. CHEMICAL PHYSICS LETTERS, 1998, 288 (2-4) : 518 - 522

[51] TIME-DEPENDENT THEORETICAL TREATMENTS OF THE DYNAMICS OF ELECTRONS AND NUCLEI IN MOLECULAR-SYSTEMS [J]. REVIEWS OF MODERN PHYSICS, 1994, 66 (03) : 917 - 983

[52] GROUND STATES OF CONJUGATED MOLECULES .9. HYDROCARBON RADICALS AND RADICAL IONS [J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1968, 90 (08) : 1953 - &

[53] MOLECULAR-ORBITAL THEORY OF ELECTRONIC-STRUCTURE OF ORGANIC COMPOUNDS .9. STUDY OF -]PI] TRANSITION ENERGIES IN SMALL MOLECULES [J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1972, 94 (03) : 703 - +

[54] LIH POTENTIAL CURVES AND WAVEFUNCTIONS FOR X1SIGMA+, A1SIGMA+, B1PI,3SIGMA+, AND 3PI [J]. JOURNAL OF CHEMICAL PHYSICS, 1972, 57 (11) : 4928 - &

[55] DIRECT CONSTRUCTION OF DIABATIC STATES IN THE CASSCF APPROACH - APPLICATION TO THE CONICAL INTERSECTION OF THE (1)A(2) AND B-1(1) EXCITED-STATES OF OZONE [J]. CHEMICAL PHYSICS LETTERS, 1993, 216 (3-6) : 362 - 368

[56] Simulation of coherent nonadiabatic dynamics using classical trajectories [J]. JOURNAL OF PHYSICAL CHEMISTRY A, 1998, 102 (23) : 4291 - 4300

[57] Dunning T.H., 1977, Modern theoretical chemistry, V3, P1, DOI DOI 10.1007/978-1-4757-0887-5_1

[58] GAUSSIAN-BASIS SETS FOR USE IN CORRELATED MOLECULAR CALCULATIONS .1. THE ATOMS BORON THROUGH NEON AND HYDROGEN [J]. JOURNAL OF CHEMICAL PHYSICS, 1989, 90 (02) : 1007 - 1023

[59] A THEORETICAL-STUDY OF THE ROLE OF VALENCE AND RYDBERG STATES IN THE PHOTOCHEMISTRY OF ETHYLENE [J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1981, 103 (25) : 7414 - 7422

[60] Ultrafast internal conversion and fragmentation in electronically excited C2H4 and C2H3Cl molecules [J]. CHEMICAL PHYSICS LETTERS, 1998, 288 (2-4) : 518 - 522