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유형		 서명 저자 발행처 원문제공시작년 수록
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1 저널기사 Ability of empirical potentials (AMBER, CHARMM, CVFF, OPLS, Poltev) and semi-empirical quantum chemical methods (AM1, MNDO/M, PM3) to describe H-bonding in DNA base pairs; comparison with ab initio results 미리보기
Hobza, P. Hubalek, F. Kabelac, M. Mejzlik, P. North Holland 1996
2 저널기사 Ab initio adiabatic and diabatic permanent dipoles for the low-lying states of the LiH molecule. A direct illustration of the ionic character 미리보기
Gadea, F. X. Berriche, H. North Holland 1995
3 저널기사 Ab initio and density functional study of the 5-pentacyclo(6.2.1.13,6.02,7.04,10)dodecyl cation. A symmetrical (micro)-hydride bridged carbocation/ 미리보기
Carneiro, Jos� Walkimar de M North Holland 2001
4 저널기사 Ab initio and density functional study of the Jahn-Teller distortion in the silane radical cation 미리보기
De Proft, F. Geerlings, P. North Holland 1996
5 저널기사 Ab initio and DFT studies for accurate description of van der Waals interaction between He atoms/ 미리보기
Kurita, Noriyuki North Holland 2001
6 저널기사 Ab initio and DFT studies of the weakly bound nitrogen molecule complexes (N2)n (n=3-6)/ 미리보기
Li, Q North Holland 2003
7 저널기사 Ab initio and DFT study of molecular structure and tautomerism of 2-amino-2-imidazoline, 2-amino-2-oxazoline and 2-amino-2-thiazoline/ 미리보기
Remko, Milan North Holland 2001
8 저널기사 Ab initio and DFT study of the ground 3A' potential energy surface for the O(3P)+N2O->2NO reaction/ 미리보기
Gonz�lez, Miguel North Holland 2001
9 저널기사 Ab initio and model investigation of acetylene clustering around hydrogen cyanide/ 미리보기
Schroeder, W. P North Holland 2003
10 저널기사 Ab initio and model investigation of acetylene clustering around hydrogen cyanide/ 미리보기
Schroeder, W. P North Holland 2003
11 저널기사 Ab initio anharmonic intermolecular potential of the C2H2-HCl hydrogen bonded complex/ 미리보기
�ar�abal, P North Holland 2001
12 저널기사 Ab initio basis set and correlation limit interaction energies for He-He, He-H2, and H-H2/ 미리보기
Lee, Jae Shin North Holland 2001
13 저널기사 Ab initio calculation of ^2H quadrupole coupling constants in molecular crystals: application to polymorphs of oxalic acid dihydrate 미리보기
Camus, S. Harris, K. D. M. Johnston, R. L. North Holland 1997
14 저널기사 Ab initio calculation of atomic axial tensors and vibrational rotationalstrengths using density functional theory 미리보기
Cheeseman, J. R. Frisch, M. J. Stephens, P. J. Devlin, F. J. North Holland 1996
15 저널기사 Ab initio calculation of Auger spectra for carbon monoxide 미리보기
Schimmelpfennig, B. Peyerimhoff, S. D. North Holland 1996
16 저널기사 Ab initio calculation of excited state energies using basis set optimization and open-shell Moeller-Plesset perturbation theory 미리보기
Glushkov, V. N. Tsaune, A. Y. North Holland 1996
17 저널기사 Ab initio calculation of resonance energies and widths of HOCl(7nOH and 8nOH) and comparison with experiment/ 미리보기
Zou, Shengli North Holland 2001
18 저널기사 Ab initio calculation of the a3S+u interaction potential and vibrational levels of 7Li2/ 미리보기
Halls, M D North Holland 2001
19 저널기사 Ab initio calculation of the anharmonic force and dipole fields of nitrogen trifluoride 미리보기
Palmieri, P. Willetts, A. Senent, M. L. Tarroni, R. North Holland 1996
20 저널기사 Ab initio calculation of the electrical properties of the X^2cap pi~g ground state of O~2^+ 미리보기
Feher, M. Martin, P. A. North Holland 1996
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