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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 1 to 20 of 47

Article

A new type of ionophore family utilizing the cation-olefinic pi interaction: Theoretical study of [n]beltenesSCIESCOPUS

JOURNAL OF ORGANIC CHEMISTRY, vol. 67, no. 6, page. 1848 - 1851, 2002-03-22

Article

A theoretical investigation of benzene-AlX3 and ethene-AlX3 (X = H, F, Cl) interactionsSCIESCOPUS

JOURNAL OF PHYSICAL CHEMISTRY A, vol. 103, no. 45, page. 9116 - 9124, 1999-11-11

Article

A theoretical investigation of the nature of the pi-H interaction in ethene-H2O, benzene-H2O, and benzene-(H2O)(2)SCIESCOPUS

JOURNAL OF CHEMICAL PHYSICS, vol. 111, no. 13, page. 5838 - 5850, 1999-10-01

Article

Ab initio studies of neutral and anionic p-benzoquinone-water clustersSCIESCOPUS

JOURNAL OF CHEMICAL PHYSICS, vol. 118, no. 19, page. 8681 - 8686, 2003-05-15

Article

Ab initio studies of pi-water tetramer complexes: Evolution of optimal structures, binding energies, and vibrational spectra of pi-(H2O)(n) (n=1-4) complexesSCIESCOPUS

JOURNAL OF CHEMICAL PHYSICS, vol. 114, no. 9, page. 4016 - 4024, 2001-03-01

Article

Ab initio study of benzene-BX3 (X = H, F, Cl) interactionsSCIESCOPUS

JOURNAL OF PHYSICAL CHEMISTRY B, vol. 103, no. 1, page. 184 - 191, 1999-01-07

Article

An electrochemically controllable nanomechanical molecular system utilizing edge-to-face and face-to-face aromatic interactionsSCIESCOPUS

ORGANIC LETTERS, vol. 4, no. 22, page. 3971 - 3974, 2002-10-31

Article

Anisole-(H2O)(n) (n=1-3) complexes: An experimental and theoretical investigation of the modulation of optimal structures, binding energies, and vibrational spectra in both the ground and first excited statesSCIESCOPUS

JOURNAL OF CHEMICAL PHYSICS, vol. 117, no. 19, page. 8805 - 8822, 2002-11-15

Article

Assembling phenomena of calix[4]hydroquinone nanotube bundles by one-dimensional short hydrogen bonding and displaced pi-pi stackingSCIESCOPUS

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, vol. 124, no. 47, page. 14268 - 14279, 2002-11-27

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

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