The valence bond structure of molybdenum was determined based on energy and shape method.The valence bond structure of Mo is changed as functions of temperature and pressure.The outer shell valence electronic distribution of Mo metal at constant temperature is.The single-bond radius is 0.128 08 nm.Covalent electron decreases and near free electron increases with the increase of temperature,but the valence bond structure of Mo does not change drastically in solid state.The bond length and single-bond radius increases while the bond energy and bond valence decrease with the increase of temperature.The outer shell valence electronic distribution of Mo at zero pressure is.The single-bond radius is 0.128 04 nm.Covalent electron increases,near free electron decreases,the covalent property increases and metallic property decreases with the increase of pressure.The bond length decreases,bond valence increases while the bond energy decreases with the increase of pressure.