Scaled quantum mechanical force field as a tool for investigation of molecular rotational isomerism

被引：0

|

作者：

Panchenko, YN

机构：

来源：

VESTNIK MOSKOVSKOGO UNIVERSITETA SERIYA 2 KHIMIYA | 1996年 / 37卷 / 05期

关键词：

D O I：

暂无

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

引用

收藏

页码：453 / 460

页数：8

相关论文

共 50 条

[1] Advantages of scaled quantum mechanical molecular force fields
Panchenko, Y. N.
De Mare, G. R.
Stepanov, N. F.
Journal of Parallel and Distributed Computing, 1600, 247 (02):
[2] The Scaled Quantum-Mechanical Force Field - A promising approach to the molecular vibrational dynamics
Ivanov, VG
Quillard, S
SPECTROSCOPY OF EMERGING MATERIALS, 2004, 165 : 339 - 350
[3] MOLECULAR-FORCE FIELD AND ROTATIONAL-ISOMERISM OF ALKYL SELENIDES
MATSUURA, H
OHNO, K
MURATA, H
CHEMISTRY LETTERS, 1978, (02) : 173 - 176
[4] A QUANTUM-MECHANICAL SCALED FORCE-FIELD FOR TETRANITROMETHANE
ARENAS, JF
OTERO, JC
SOTO, J
JOURNAL OF MOLECULAR STRUCTURE, 1993, 298 : 191 - 198
[5] Scaled quantum mechanical force field of dimethylpyrazines:: vibrational assignments
Arenas, JF
Centeno, SP
López-Tocón, I
Otero, JC
JOURNAL OF MOLECULAR STRUCTURE, 2005, 744 : 289 - 293
[6] Raman spectrum of coronene: a scaled quantum mechanical force field study
Fleischer, U
Pulay, P
JOURNAL OF RAMAN SPECTROSCOPY, 1998, 29 (06) : 473 - 481
[7] Vibrational spectra and scaled quantum-mechanical molecular force fields
Panchenko, YN
JOURNAL OF MOLECULAR STRUCTURE, 2001, 567 : 217 - 230
[8] ADVANTAGES OF SCALED QUANTUM-MECHANICAL MOLECULAR-FORCE FIELDS
PANCHENKO, YN
DEMARE, GR
STEPANOV, NF
JOURNAL OF MOLECULAR STRUCTURE, 1995, 348 : 413 - 416
[9] Scaled quantum mechanical force field for alanyl-alanine peptide in solution
Weir, AF
Lowrey, AH
Williams, RW
BIOPOLYMERS, 2001, 58 (06) : 577 - 591
[10] Extension of the density functional derived scaled quantum mechanical force field procedure
Kalincsák, F
Pongor, G
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 2002, 58 (05) : 999 - 1011

← 1 2 3 4 5 →