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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 10 to 29 of 47

Article

Benzene-hydrogen halide interactions: Theoretical studies of binding energies, vibrational frequencies, and equilibrium structuresSCIESCOPUS

JOURNAL OF CHEMICAL PHYSICS, vol. 108, no. 17, page. 7217 - 7223, 1998-05-01

Article

Catalytic mechanism of enzymes: preorganization, short strong hydrogen bond, and charge bufferingSCIESCOPUS

BIOCHEMISTRY, vol. 41, no. 16, page. 5300 - 5306, 2002-04-23

Article

Cation-pi interactions: A theoretical investigation of the interaction of metallic and organic cations with alkenes, arenes, and heteroarenesSCIESCOPUS

JOURNAL OF PHYSICAL CHEMISTRY A, vol. 107, no. 8, page. 1228 - 1238, 2003-02-27

Article

Cation-pi-anion interaction: A theoretical investigation of the role of induction energiesSCIESCOPUS

JOURNAL OF PHYSICAL CHEMISTRY A, vol. 111, no. 32, page. 7980 - 7986, 2007-08-16

Article

Characterization of weak NH-pi intermolecular interactions of ammonia with various substituted pi-systemsSCIESCOPUS

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, vol. 128, no. 16, page. 5416 - 5426, 2006-04-26

Article

Comparison of the nature of pi and conventional H-bonds: a theoretical investigationSCIESCOPUS

JOURNAL OF MOLECULAR STRUCTURE, vol. 615, no. 1-3, page. 227 - 238, 2002-09-26

Article

Dimer to monomer phase transition in alkali-metal fullerides: Magnetic susceptibility changesSCIESCOPUS

PHYSICAL REVIEW LETTERS, vol. 84, no. 11, page. 2425 - 2428, 2000-03-13

Article

Electronic structure of silver subnanowires in self-assembled organic nanotubes: Density functional calculationsSCIESCOPUS

PHYSICAL REVIEW B, vol. 67, no. 24, 2003-06-27

Article

Fluorobenzene and p-difluorobenzene microsolvated by methanol: An infrared spectroscopic and ab initio theoretical investigationSCIESCOPUS

JOURNAL OF CHEMICAL PHYSICS, vol. 112, no. 4, page. 1844 - 1858, 2000-01-22

Article

Fluorobenzene center dot center dot center dot water and difluorobenzene center dot center dot center dot water systems: An ab initio investigationSCIESCOPUS

JOURNAL OF CHEMICAL PHYSICS, vol. 110, no. 17, page. 8501 - 8512, 1999-05-01

Article

Geometrical and electronic structures of gold, silver, and gold-silver binary clusters: Origins of ductility of gold and gold-silver alloy formationSCIESCOPUS

JOURNAL OF PHYSICAL CHEMISTRY B, vol. 107, no. 37, page. 9994 - 10005, 2003-09-18

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

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