Density Functional Theory (DFT) Calculations of Indirect Nuclear Spin-Spin Coupling Constants 1J(31P, 13C) in λ3-Phosphaalkynes

被引：0

作者：

Wrackmeyer, Bernd ^{[1
]}

机构：

[1] Lab. für Anorganische Chemie, Universität Bayreuth, D-95440 Bayreuth, Germany

来源：

Zeitschrift fur Naturforschung - Section B Journal of Chemical Sciences | 2003年 / 58卷 / 11期

关键词：

Coupling constants - MO calculations - Nuclear spins - Paramagnetic spins - Phosphaalkynes - Phosphorus atom - Spin-spin coupling constants - Strong dependences;

D O I：

10.1515/znb-2003-1102

中图分类号：

学科分类号：

摘要：

引用

页码：1041 / 1044

共 50 条

[1] Density functional theory (DFT) calculations of indirect nuclear spin-spin coupling constants 1J(31P, 13C) in λ3-phosphaalkynes
Wrackmeyer, B
ZEITSCHRIFT FUR NATURFORSCHUNG SECTION B-A JOURNAL OF CHEMICAL SCIENCES, 2003, 58 (11): : 1041 - 1044
[2] Indirect nuclear spin-spin coupling constants 1J(17O,13C) in derivatives of carbon dioxide and carbon monoxide -: Density functional theory (DFT) calculations
Wrackmeyer, B
ZEITSCHRIFT FUR NATURFORSCHUNG SECTION B-A JOURNAL OF CHEMICAL SCIENCES, 2004, 59 (03): : 286 - 290
[3] A theoretical investigation of one-bond phosphorus-phosphorus indirect nuclear spin-spin coupling tensors, 1J(31P,31P), using density functional theory
Forgeron, MAM
Gee, M
Wasylishen, RE
JOURNAL OF PHYSICAL CHEMISTRY A, 2004, 108 (22): : 4895 - 4908
[4] DFT calculations of 31P spin-spin coupling constants and chemical shift in dioxaphosphorinanes
Pecul, Magdalena
Urbanczyk, Mateusz
Wodynski, Artur
Jaszunski, Michal
MAGNETIC RESONANCE IN CHEMISTRY, 2011, 49 (07) : 399 - 404
[5] Indirect nuclear spin-spin coupling constants 1J(17O,11B).: First observation and calculation using density functional theory (DFT)
Wrackmeyer, Bernd
Tok, Oleg L.
ZEITSCHRIFT FUR NATURFORSCHUNG SECTION B-A JOURNAL OF CHEMICAL SCIENCES, 2006, 61 (08): : 949 - 955
[6] Hyperconjugation in trialkylboranes shown by indirect nuclear spin-spin coupling constants. Experimental data and density functional theory (DFT) calculations
Wrackmeyer, B
Tok, OL
ZEITSCHRIFT FUR NATURFORSCHUNG SECTION B-A JOURNAL OF CHEMICAL SCIENCES, 2005, 60 (03): : 259 - 264
[7] Indirect nuclear 77Se-77Se spin-spin coupling constants.: Application of density functional theory (DFT) calculations
Wrackmeyer, B
STRUCTURAL CHEMISTRY, 2005, 16 (01) : 67 - 71
[8] Density functional theory calculation of indirect nuclear magnetic resonance spin-spin coupling constants in C70
1600, American Chemical Society, Columbus, United States (126):
[9] Density functional theory calculation of indirect nuclear magnetic resonance spin-spin coupling constants in C70
Peralta, JE
Barone, V
Scuseria, GE
Contreras, RH
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2004, 126 (24) : 7428 - 7429
[10] Vibrational corrections to indirect nuclear spin-spin coupling constants calculated by density-functional theory
Ruden, TA
Lutnæs, OB
Helgaker, T
Ruud, K
JOURNAL OF CHEMICAL PHYSICS, 2003, 118 (21): : 9572 - 9581

← 1 2 3 4 5 →