The spin-rovibronic levels for the X3Sigma-,A3P electronic system of C2S are calculated variationally, using ab initio potential energy surfaces and taking into account the non-adiabatic coupling between the two states. The energies of selected levels with Sigma and Pi vibronic symmetry, up to approx16500 cm-1, are reported and compared with available experimental data
Use of a new emission source facilitated recording the near infrared spectrum of the d 3Δi-a 3Πr tra...
Aims. This paper presents an ab initio characterization of linear isomers of C3Si, which are suitabl...
The lowest 13 vibrational levels, v = 0-12, of the eΠg3 state of the C2 molecule have been measured ...
The spin-rovibronic levels for the X3Sigma-,A3P electronic system of C2S are calculated variationall...
The spin-rovibronic energy levels of the A2Pi and B2Sigma+ electronic states of thiocyanate radical ...
International audienceFor the most stable linear isomer of C3S in its X-1 Sigma(+) state a six- dime...
International audienceThe first electronic states of C2O+ correlating to the first asymptotes of dis...
The equilibrium geometries, excitation energies, force constants and vibrational frequencies for the...
The three lowest (1(2)A('), 2(2)A('), and 1(2)A(')) potential-energy surfaces of the C2Cl radical, c...
The first three electronic states (1(2)A', 2(2)A', 1(2)A '') of the C2Br radical, correlating at lin...
International audienceThree-dimensional potential energy functions have been generated ab initio for...
International audienceNear-equilibrium potential energy surfaces have been calculated for both the P...
Author Institution: Department of pure and Applied Sciences, College of Art and Sciences, The Univer...
International audienceLarge-scale electronic structure calculations were performed to generate a thr...
Author Institution:Self-consistent field plus configuration interaction calculations of the electron...
Use of a new emission source facilitated recording the near infrared spectrum of the d 3Δi-a 3Πr tra...
Aims. This paper presents an ab initio characterization of linear isomers of C3Si, which are suitabl...
The lowest 13 vibrational levels, v = 0-12, of the eΠg3 state of the C2 molecule have been measured ...
The spin-rovibronic levels for the X3Sigma-,A3P electronic system of C2S are calculated variationall...
The spin-rovibronic energy levels of the A2Pi and B2Sigma+ electronic states of thiocyanate radical ...
International audienceFor the most stable linear isomer of C3S in its X-1 Sigma(+) state a six- dime...
International audienceThe first electronic states of C2O+ correlating to the first asymptotes of dis...
The equilibrium geometries, excitation energies, force constants and vibrational frequencies for the...
The three lowest (1(2)A('), 2(2)A('), and 1(2)A(')) potential-energy surfaces of the C2Cl radical, c...
The first three electronic states (1(2)A', 2(2)A', 1(2)A '') of the C2Br radical, correlating at lin...
International audienceThree-dimensional potential energy functions have been generated ab initio for...
International audienceNear-equilibrium potential energy surfaces have been calculated for both the P...
Author Institution: Department of pure and Applied Sciences, College of Art and Sciences, The Univer...
International audienceLarge-scale electronic structure calculations were performed to generate a thr...
Author Institution:Self-consistent field plus configuration interaction calculations of the electron...
Use of a new emission source facilitated recording the near infrared spectrum of the d 3Δi-a 3Πr tra...
Aims. This paper presents an ab initio characterization of linear isomers of C3Si, which are suitabl...
The lowest 13 vibrational levels, v = 0-12, of the eΠg3 state of the C2 molecule have been measured ...