Decomposition of LiPF[sub 6] and Stability of PF[sub 5] in Li-Ion Battery Electrolytes

Ken Tasaki, Katsuya Kanda, Shinichiro Nakamura, +1

Journal of The Electrochemical Society

ElectrolytesEngineeringComputational ChemistryChemistryMolecular Dynamics +19

Gutzwiller Approximation for Antiferromagnetism in Hubbard Model

T. Ogawa, Katsuya Kanda, T. Matsubara

Progress of Theoretical Physics

Quantum Lattice SystemEngineeringMany-body Quantum PhysicMagnetic ResonanceQuantum Materials +14

An ab Initio MO Study of the Photochromic Reaction of Dithienylethenes

Dominique Guillaumont, Takao Kobayashi, Katsuya Kanda, +6

The Journal of Physical Chemistry A

EngineeringOrganic ChemistryComputational ChemistryChemistryChemical Engineering +14

Force in scf theories

Hiroshi Nakatsuji, Katsuya Kanda, T. Yonezawa

Chemical Physics Letters

Quantum Field TheoryUnified Field TheoryPhysicsScf Theories

Theoretical Studies on the Reductive Decompositions of Solvents and Additives for Lithium-Ion Batteries near Lithium Anodes

Ken Tasaki, Katsuya Kanda, Takao Kobayashi, +2

Journal of The Electrochemical Society

EngineeringPotential Energy SurfaceChemistryChemical EngineeringReductive Decompositions +14

Theoretical study of the metal chemical shift in nuclear magnetic resonance spectroscopy. Manganese complexes

Katsuya Kanda, Hiroshi Nakatsuji, T. Yonezawa

Journal of the American Chemical Society

Inorganic ChemistryManganese ComplexeskMetal Chemical ShiftTheoretical StudyMagnetic Resonance Spectroscopy +13

Rotational Isomerization of Dithienylethenes:  A Study on the Mechanism Determining Quantum Yield of Cyclization Reaction

Alexander Goldberg, Akinori Murakami, Katsuya Kanda, +8

The Journal of Physical Chemistry A

EngineeringChemical TransformationExcitation Energy TransferOrganic ChemistryComputational Chemistry +18

Electronic structure of dirhodium tetracarboxylate complexes by the AB initio SCF MO method

H. Nakatsuji, Jiro Ushio, Katsuya Kanda, +3

Chemical Physics Letters

Inorganic ChemistryChemical EngineeringEngineeringNatural SciencesCoordination Complex +8

Force in SCF theories. Test of the new method

Hiroshi Nakatsuji, Katsuya Kanda, Masahiko Hada, +1

The Journal of Chemical Physics

EngineeringComputational ChemistryNew Force MethodChemistryMolecular Dynamics +16

Electronic mechanism in cadmium chemical shift

H. Nakatsuji, T. Nakao, Katsuya Kanda

Chemical Physics

EngineeringCadmium Chemical ShiftNatural SciencesApplied PhysicsElemental Metal +4