89 results on '"Nakatsuji, Hiroshi"'
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2. Ground and excited states of singlet, cation doublet, and anion doublet states of 0-benzoquinone: A theoretical study
3. SAC-CI theoretical study on the excited states of lumiflavin: Structure, excitation spectrum, and solvation effect
4. SAC and SAC-CI calculations of excitation and circular dichroism spectra of straight-chain and cyclic dichalcogens
5. Full Band Monte Carlo Study for Two-Dimensional Hole Transport in Strained Si p-MOSFETs
6. Excited and ionized states of p-benzoquinone and its anion radical: SAC-CI theoretical study
7. Peralkylated tetrasilanes: conformational dependence of the photoelectron spectrum
8. Ab initio study of lower energy phenol--water(sub)1<or =n<or =4 complexes: interpretation of two distinct infrared patterns in spectra of phenol--water tetramer
9. Heterolytic adsorption of H2 on ZnO(1010) surface: an ab initio SPC cluster model study
10. Experimental study and ab initio molecular orbital calculation on the photolysis of n-butyrophenone included within the alkali metal cation-exchanged ZSM-5 zeolite
11. Preface
12. Light-Driven Proton, Sodium Ion, and Chloride Ion Transfer Mechanisms in Rhodopsins: SAC-CI Study
13. Accuracy of Td-DFT in the Ultraviolet and Circular Dichroism Spectra of Deoxyguanosine and Uridine
14. Keiji Morokuma
15. Photoswitchable Drugs and Insulin Release: Molecular Events in EPAC2A Protein
16. Accuracy of Td-DFT in the Ultraviolet and Circular Dichroism Spectra of Deoxyguanosine and Uridine
17. Excited states of porphyrin isomers and porphycene derivatives: A SAC-CI study
18. Similarities and Differences between RNA and DNA Double-Helical Structures in Circular Dichroism Spectroscopy: A SAC–CI Study
19. Quasi-relativistic study of (super 199)Hg nuclear magnetic shielding constants of dimethylmercury, disiylmercury and digermylmercury
20. Variational calculations of fermion second-order reduced density matrices by semidefinite programming algorithm
21. Indicator of the Stacking Interaction in the DNA Double-Helical Structure: ChiraSac Study
22. Electronic transitions in cis- and trans-dichloroethylenes and tetrachloroethylene
23. Circular Dichroism Spectra of Uridine Derivatives: ChiraSac Study
24. Conformational Dependence of the Circular Dichroism Spectrum of α-Hydroxyphenylacetic Acid: A ChiraSac Study
25. SOLVING THE NON-BORN-OPPENHEIMER SCHRÖDINGER EQUATION FOR THE HYDROGEN MOLECULAR ION WITH THE FREE COMPLEMENT METHOD. II. HIGHLY ACCURATE ELECTRONIC, VIBRATIONAL, AND ROTATIONAL EXCITED STATES
26. Helical Structure and Circular Dichroism Spectra of DNA: A Theoretical Study
27. Excitation Spectra of Cation and Anion Radicals of Several Unsaturated Hydrocarbons: Symmetry Adapted Cluster-Configuration Interaction Theoretical Study
28. SOLVING THE SCHRÖDINGER AND DIRAC EQUATIONS FOR A HYDROGEN ATOM IN THE UNIVERSE'S STRONGEST MAGNETIC FIELDS WITH THE FREE COMPLEMENT METHOD
29. Ground and Excited States of Singlet, Cation Doublet, and Anion Doublet States of o-Benzoquinone: A Theoretical Study
30. SAC and SAC−CI Calculations of Excitation and Circular Dichroism Spectra of Straight-Chain and Cyclic Dichalcogens
31. Energetics of the Electron Transfer from Bacteriopheophytin to Ubiquinone in the Photosynthetic Reaction Center of Rhodopseudomonas Viridis: Theoretical Study
32. Excited and Ionized States of p-Benzoquinone and Its Anion Radical: SAC−CI Theoretical Study
33. Ab Initio Study of Lower Energy Phenol−Water1≤n≤4 Complexes: Interpretation of Two Distinct Infrared Patterns in Spectra of Phenol−Water Tetramer
34. Quasi-Relativistic Study of 199Hg Nuclear Magnetic Shielding Constants of Dimethylmercury, Disilylmercury and Digermylmercury
35. CircularDichroism Spectra of Uridine Derivatives: ChiraSac Study.
36. Electronic Structures of MoF6 and MoOF4 in the Ground and Excited States: A SAC-CI and Frozen-Orbital-Analysis Study
37. Theoretical Study on the Decomposition of HCOOH on a ZnO(10 0) Surface
38. Theoretical Study on the Thermal and Photochemical Isomerization Reactions of Dicyanoacetylene Complex of Platinum Pt(PH3)2(C4N2)
39. Excited States of Free Base Phthalocyanine Studied by the SAC-CI Method
40. Helical Structure andCircular Dichroism Spectra ofDNA: A Theoretical Study.
41. Excitation Spectra ofCation and Anion Radicals ofSeveral Unsaturated Hydrocarbons: Symmetry Adapted Cluster-ConfigurationInteraction Theoretical Study.
42. Dipped adcluster model study for the end-on chemisorption of O2 on an Ag surface
43. 6.分子及び分子系の電子状態と力 : 静電力理論と分子構造(化学反応の基礎的諸問題,基研研究会報告)
44. Dipped adcluster model study for the end-on chemisorption of O2on an Ag surface
45. Theoretical Study on the Decomposition of HCOOH on a ZnO(1010) Surface
46. カイカクケイ ノ キドウ リロン ト ブンシ ノ デンシ ジョウタイ ニ カンスル ケンキュウ
47. Does a silylenemetal complex exist?
48. Theoretical Study on the Decomposition of HCOOH on a ZnO(10[formula omitted]0) Surface
49. SOLVING THE SCHROeDINGER AND DIRAC EQUATIONS FOR A HYDROGEN ATOM IN THE UNIVERSE'S STRONGEST MAGNETIC FIELDS WITH THE FREE COMPLEMENT METHOD
50. Quantum Chemical Methods for Predicting and Interpreting Second-Order Nonlinear Optical Properties:from Small to Extended π-Conjugated Molecules
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