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전체 가 나 다 라 마 바 사 아 자 차 카 타 파 하

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Showing results 21 to 40 of 47

Article

Highly stereospecific epimerization of alpha-amino acids: Conducted tour mechanismSCIESCOPUS

JOURNAL OF ORGANIC CHEMISTRY, vol. 68, no. 17, page. 6571 - 6575, 2003-08-22

Article

Hydration and dissociation of hydrogen fluoric acid (HF)SCIESCOPUS

JOURNAL OF PHYSICAL CHEMISTRY A, vol. 110, no. 25, page. 7918 - 7924, 2006-06-29

Article

Insights into the nature of SiH4-BH3 complex: Theoretical investigation of new mechanistic pathways involving SiH3 center dot and BH4 center dot radicalsSCIESCOPUS

JOURNAL OF PHYSICAL CHEMISTRY A, vol. 106, no. 29, page. 6817 - 6822, 2002-07-25

Article

Insights into the structure of cyclohexane from femtosecond degenerate four-wave mixing spectroscopy and ab initio calculationsSCIESCOPUS

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, vol. 125, no. 52, page. 16455 - 16462, 2003-12-31

Article

Insights into the structures, energetics, and vibrations of monovalent cation-(Water)(1-6) clustersSCIESCOPUS

JOURNAL OF PHYSICAL CHEMISTRY A, vol. 108, no. 15, page. 2949 - 2958, 2004-04-15

Article

Interaction of the water dimer with pi-systems: A theoretical investigation of structures, energies, and vibrational frequenciesSCIESCOPUS

JOURNAL OF CHEMICAL PHYSICS, vol. 112, no. 4, page. 1769 - 1781, 2000-01-22

Article

Molecular clusters of pi-systems: Theoretical studies of structures, spectra, and origin of interaction energiesSCIESCOPUS

CHEMICAL REVIEWS, vol. 100, no. 11, page. 4145 - 4185, 2000-11

Article

Molecular structure of p-cyclohexylaniline. Comparison of results obtained by X-ray diffraction with gas phase laser experiments and ab initio calculationsSCIESCOPUS

JOURNAL OF PHYSICAL CHEMISTRY A, vol. 104, no. 49, page. 11593 - 11600, 2000-12-14

Article

Nature of the interaction of paramagnetic atoms (A=N-4,P-4,O-3,S-3) with pi systems and C-60: A theoretical investigation of A center dot center dot center dot C6H6 and endohedral fullerenes A@C-60SCIESCOPUS

JOURNAL OF CHEMICAL PHYSICS, vol. 116, no. 24, page. 10684 - 10691, 2002-06-22

Article

Olefinic vs aromatic pi-H interaction: A theoretical investigation of the nature of interaction of first-row hydrides with ethene and benzeneSCIESCOPUS

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, vol. 123, no. 14, page. 3323 - 3331, 2001-04-11

Article

Origin of the magic number's of water clusters with an excess electronSCIESCOPUS

JOURNAL OF CHEMICAL PHYSICS, vol. 122, no. 4, 2005-01-22

Article

p-benzoquinone-benzene clusters as potential nanomechanical devices: A theoretical studySCIESCOPUS

JOURNAL OF CHEMICAL PHYSICS, vol. 121, no. 2, page. 841 - 846, 2004-07-08

Article

Role of catalytic residues in enzymatic mechanisms of homologous ketosteroid isomerasesSCIESCOPUS

BIOCHEMISTRY, vol. 39, no. 45, page. 13891 - 13896, 2000-11-14

Article

Role of Lewis acid (AlCl3) aromatic ring interactions in Friedel-Craft's reaction: An ab initio studySCIESCOPUS

JOURNAL OF PHYSICAL CHEMISTRY A, vol. 102, no. 13, page. 2253 - 2255, 1998-03-26

Article

Role of molecular orbitals of the benzene in electronic nanodevicesSCIESCOPUS

JOURNAL OF CHEMICAL PHYSICS, vol. 122, no. 9, 2005-03-01

Article

sigma to pi conformational transition: Interactions of the water trimer with pi systemsSCIESCOPUS

JOURNAL OF CHEMICAL PHYSICS, vol. 114, no. 3, page. 1295 - 1305, 2001-01-15

Article

Structure and stability of fluorine-substituted benzene-argon complexes: The decisive role of exchange-repulsion and dispersion interactionsSCIESCOPUS

JOURNAL OF CHEMICAL PHYSICS, vol. 115, no. 13, page. 6018 - 6029, 2001-10-01

Article

Structures, energetics, and spectra of aqua-cesium (I) complexes: An ab initio and experimental studySCIESCOPUS

JOURNAL OF CHEMICAL PHYSICS, vol. 126, no. 7, 2007-02-21

Article

Structures, energies, and spectra of aqua-silver (I) complexesSCIESCOPUS

JOURNAL OF CHEMICAL PHYSICS, vol. 119, no. 15, page. 7725 - 7736, 2003-10-15

Article

Structures, energies, vibrational spectra, and electronic properties of water monomer to decamerSCIESCOPUS

JOURNAL OF CHEMICAL PHYSICS, vol. 112, no. 22, page. 9759 - 9772, 2000-06-08

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