学术探索
学术期刊
新闻热点
数据分析
智能评审
立即登录
Comment on "Strength of the N-H•••O=C bonds in formamide and N-methylacetamide dimers"
被引:13
作者
:
Frey, JA
论文数:
0
引用数:
0
h-index:
0
机构:
Univ Bern, Dept Chem & Biochem, CH-3012 Bern, Switzerland
Univ Bern, Dept Chem & Biochem, CH-3012 Bern, Switzerland
Frey, JA
[
1
]
Leutwyler, S
论文数:
0
引用数:
0
h-index:
0
机构:
Univ Bern, Dept Chem & Biochem, CH-3012 Bern, Switzerland
Univ Bern, Dept Chem & Biochem, CH-3012 Bern, Switzerland
Leutwyler, S
[
1
]
机构
:
[1]
Univ Bern, Dept Chem & Biochem, CH-3012 Bern, Switzerland
来源
:
JOURNAL OF PHYSICAL CHEMISTRY A
|
2005年
/ 109卷
/ 31期
关键词
:
D O I
:
10.1021/jp051310c
中图分类号
:
O64 [物理化学(理论化学)、化学物理学];
学科分类号
:
070304 ;
081704 ;
摘要
:
引用
收藏
页码:6990 / 6990
页数:1
相关论文
共 8 条
[1]
On the accuracy of DFT for describing hydrogen bonds: Dependence on the bond directionality
[J].
Ireta, J
论文数:
0
引用数:
0
h-index:
0
机构:
Max Planck Gesell, Fritz Haber Inst, D-14195 Berlin, Germany
Max Planck Gesell, Fritz Haber Inst, D-14195 Berlin, Germany
Ireta, J
;
Neugebauer, J
论文数:
0
引用数:
0
h-index:
0
机构:
Max Planck Gesell, Fritz Haber Inst, D-14195 Berlin, Germany
Neugebauer, J
;
Scheffler, M
论文数:
0
引用数:
0
h-index:
0
机构:
Max Planck Gesell, Fritz Haber Inst, D-14195 Berlin, Germany
Scheffler, M
.
JOURNAL OF PHYSICAL CHEMISTRY A,
2004,
108
(26)
:5692
-5698
[2]
ELECTRON-AFFINITIES OF THE 1ST-ROW ATOMS REVISITED - SYSTEMATIC BASIS-SETS AND WAVE-FUNCTIONS
[J].
KENDALL, RA
论文数:
0
引用数:
0
h-index:
0
机构:
PACIFIC NW LAB, MOLEC SCI RES CTR, RICHLAND, WA 99352 USA
KENDALL, RA
;
DUNNING, TH
论文数:
0
引用数:
0
h-index:
0
机构:
PACIFIC NW LAB, MOLEC SCI RES CTR, RICHLAND, WA 99352 USA
DUNNING, TH
;
HARRISON, RJ
论文数:
0
引用数:
0
h-index:
0
机构:
PACIFIC NW LAB, MOLEC SCI RES CTR, RICHLAND, WA 99352 USA
HARRISON, RJ
.
JOURNAL OF CHEMICAL PHYSICS,
1992,
96
(09)
:6796
-6806
[3]
LIMITING VALUES FOR MOLLER-PLESSET 2ND-ORDER CORRELATION ENERGIES OF POLYATOMIC SYSTEMS - A BENCHMARK STUDY ON NE, HF, H2O, N-2, AND HE-CENTER-DOT-CENTER-DOT-CENTER-DOT-HE
[J].
KLOPPER, W
论文数:
0
引用数:
0
h-index:
0
机构:
Interdisziplinäres Projektzentrum für Supercomputing, Eidgenössische Technische Hochschule
KLOPPER, W
.
JOURNAL OF CHEMICAL PHYSICS,
1995,
102
(15)
:6168
-6179
[4]
Ab initio benchmark study of (2-pyridone)2, a strongly bound doubly hydrogen-bonded dimer
[J].
Müller, A
论文数:
0
引用数:
0
h-index:
0
机构:
Univ Bern, Dept Chem & Biochem, CH-3012 Bern, Switzerland
Univ Bern, Dept Chem & Biochem, CH-3012 Bern, Switzerland
Müller, A
;
Losada, M
论文数:
0
引用数:
0
h-index:
0
机构:
Univ Bern, Dept Chem & Biochem, CH-3012 Bern, Switzerland
Univ Bern, Dept Chem & Biochem, CH-3012 Bern, Switzerland
Losada, M
;
Leutwyler, S
论文数:
0
引用数:
0
h-index:
0
机构:
Univ Bern, Dept Chem & Biochem, CH-3012 Bern, Switzerland
Univ Bern, Dept Chem & Biochem, CH-3012 Bern, Switzerland
Leutwyler, S
.
JOURNAL OF PHYSICAL CHEMISTRY A,
2004,
108
(01)
:157
-165
[5]
Effects of temperature and pressure on hydrogen bonds in water and in formamide
[J].
Ohtaki, H
论文数:
0
引用数:
0
h-index:
0
机构:
Ritsumeikan Univ, Fac Sci & Engn, Dept Appl Chem, Kusatsu 5258577, Japan
Ritsumeikan Univ, Fac Sci & Engn, Dept Appl Chem, Kusatsu 5258577, Japan
Ohtaki, H
.
JOURNAL OF MOLECULAR LIQUIDS,
2003,
103
:3
-13
[6]
BENCHMARK CALCULATIONS WITH CORRELATED MOLECULAR WAVE-FUNCTIONS .4. THE CLASSICAL BARRIER HEIGHT OF THE H+H-2-]H-2+H REACTION
[J].
PETERSON, KA
论文数:
0
引用数:
0
h-index:
0
机构:
Molecular Science Research Center, Pacific Northwest Laboratory, Richland, WA 99352, P. O. Box
PETERSON, KA
;
WOON, DE
论文数:
0
引用数:
0
h-index:
0
机构:
Molecular Science Research Center, Pacific Northwest Laboratory, Richland, WA 99352, P. O. Box
WOON, DE
;
DUNNING, TH
论文数:
0
引用数:
0
h-index:
0
机构:
Molecular Science Research Center, Pacific Northwest Laboratory, Richland, WA 99352, P. O. Box
DUNNING, TH
.
JOURNAL OF CHEMICAL PHYSICS,
1994,
100
(10)
:7410
-7415
[7]
Strength of the N-H•••O=C and C-H•••O=C bonds in formamide and N-methylacetamide dimers
[J].
Vargas, R
论文数:
0
引用数:
0
h-index:
0
机构:
Pacific NW Natl Lab, William R Wiley Environm Mol Sci Lab, Richland, WA 99352 USA
Vargas, R
;
Garza, J
论文数:
0
引用数:
0
h-index:
0
机构:
Pacific NW Natl Lab, William R Wiley Environm Mol Sci Lab, Richland, WA 99352 USA
Garza, J
;
Friesner, RA
论文数:
0
引用数:
0
h-index:
0
机构:
Pacific NW Natl Lab, William R Wiley Environm Mol Sci Lab, Richland, WA 99352 USA
Friesner, RA
;
Stern, H
论文数:
0
引用数:
0
h-index:
0
机构:
Pacific NW Natl Lab, William R Wiley Environm Mol Sci Lab, Richland, WA 99352 USA
Stern, H
;
Hay, BP
论文数:
0
引用数:
0
h-index:
0
机构:
Pacific NW Natl Lab, William R Wiley Environm Mol Sci Lab, Richland, WA 99352 USA
Hay, BP
;
Dixon, DA
论文数:
0
引用数:
0
h-index:
0
机构:
Pacific NW Natl Lab, William R Wiley Environm Mol Sci Lab, Richland, WA 99352 USA
Dixon, DA
.
JOURNAL OF PHYSICAL CHEMISTRY A,
2001,
105
(20)
:4963
-4968
[8]
Watson TM, 2002, J PHYS CHEM A, V106, P7858, DOI 10.1021/jpO255511
←
1
→
共 8 条
[1]
On the accuracy of DFT for describing hydrogen bonds: Dependence on the bond directionality
[J].
Ireta, J
论文数:
0
引用数:
0
h-index:
0
机构:
Max Planck Gesell, Fritz Haber Inst, D-14195 Berlin, Germany
Max Planck Gesell, Fritz Haber Inst, D-14195 Berlin, Germany
Ireta, J
;
Neugebauer, J
论文数:
0
引用数:
0
h-index:
0
机构:
Max Planck Gesell, Fritz Haber Inst, D-14195 Berlin, Germany
Neugebauer, J
;
Scheffler, M
论文数:
0
引用数:
0
h-index:
0
机构:
Max Planck Gesell, Fritz Haber Inst, D-14195 Berlin, Germany
Scheffler, M
.
JOURNAL OF PHYSICAL CHEMISTRY A,
2004,
108
(26)
:5692
-5698
[2]
ELECTRON-AFFINITIES OF THE 1ST-ROW ATOMS REVISITED - SYSTEMATIC BASIS-SETS AND WAVE-FUNCTIONS
[J].
KENDALL, RA
论文数:
0
引用数:
0
h-index:
0
机构:
PACIFIC NW LAB, MOLEC SCI RES CTR, RICHLAND, WA 99352 USA
KENDALL, RA
;
DUNNING, TH
论文数:
0
引用数:
0
h-index:
0
机构:
PACIFIC NW LAB, MOLEC SCI RES CTR, RICHLAND, WA 99352 USA
DUNNING, TH
;
HARRISON, RJ
论文数:
0
引用数:
0
h-index:
0
机构:
PACIFIC NW LAB, MOLEC SCI RES CTR, RICHLAND, WA 99352 USA
HARRISON, RJ
.
JOURNAL OF CHEMICAL PHYSICS,
1992,
96
(09)
:6796
-6806
[3]
LIMITING VALUES FOR MOLLER-PLESSET 2ND-ORDER CORRELATION ENERGIES OF POLYATOMIC SYSTEMS - A BENCHMARK STUDY ON NE, HF, H2O, N-2, AND HE-CENTER-DOT-CENTER-DOT-CENTER-DOT-HE
[J].
KLOPPER, W
论文数:
0
引用数:
0
h-index:
0
机构:
Interdisziplinäres Projektzentrum für Supercomputing, Eidgenössische Technische Hochschule
KLOPPER, W
.
JOURNAL OF CHEMICAL PHYSICS,
1995,
102
(15)
:6168
-6179
[4]
Ab initio benchmark study of (2-pyridone)2, a strongly bound doubly hydrogen-bonded dimer
[J].
Müller, A
论文数:
0
引用数:
0
h-index:
0
机构:
Univ Bern, Dept Chem & Biochem, CH-3012 Bern, Switzerland
Univ Bern, Dept Chem & Biochem, CH-3012 Bern, Switzerland
Müller, A
;
Losada, M
论文数:
0
引用数:
0
h-index:
0
机构:
Univ Bern, Dept Chem & Biochem, CH-3012 Bern, Switzerland
Univ Bern, Dept Chem & Biochem, CH-3012 Bern, Switzerland
Losada, M
;
Leutwyler, S
论文数:
0
引用数:
0
h-index:
0
机构:
Univ Bern, Dept Chem & Biochem, CH-3012 Bern, Switzerland
Univ Bern, Dept Chem & Biochem, CH-3012 Bern, Switzerland
Leutwyler, S
.
JOURNAL OF PHYSICAL CHEMISTRY A,
2004,
108
(01)
:157
-165
[5]
Effects of temperature and pressure on hydrogen bonds in water and in formamide
[J].
Ohtaki, H
论文数:
0
引用数:
0
h-index:
0
机构:
Ritsumeikan Univ, Fac Sci & Engn, Dept Appl Chem, Kusatsu 5258577, Japan
Ritsumeikan Univ, Fac Sci & Engn, Dept Appl Chem, Kusatsu 5258577, Japan
Ohtaki, H
.
JOURNAL OF MOLECULAR LIQUIDS,
2003,
103
:3
-13
[6]
BENCHMARK CALCULATIONS WITH CORRELATED MOLECULAR WAVE-FUNCTIONS .4. THE CLASSICAL BARRIER HEIGHT OF THE H+H-2-]H-2+H REACTION
[J].
PETERSON, KA
论文数:
0
引用数:
0
h-index:
0
机构:
Molecular Science Research Center, Pacific Northwest Laboratory, Richland, WA 99352, P. O. Box
PETERSON, KA
;
WOON, DE
论文数:
0
引用数:
0
h-index:
0
机构:
Molecular Science Research Center, Pacific Northwest Laboratory, Richland, WA 99352, P. O. Box
WOON, DE
;
DUNNING, TH
论文数:
0
引用数:
0
h-index:
0
机构:
Molecular Science Research Center, Pacific Northwest Laboratory, Richland, WA 99352, P. O. Box
DUNNING, TH
.
JOURNAL OF CHEMICAL PHYSICS,
1994,
100
(10)
:7410
-7415
[7]
Strength of the N-H•••O=C and C-H•••O=C bonds in formamide and N-methylacetamide dimers
[J].
Vargas, R
论文数:
0
引用数:
0
h-index:
0
机构:
Pacific NW Natl Lab, William R Wiley Environm Mol Sci Lab, Richland, WA 99352 USA
Vargas, R
;
Garza, J
论文数:
0
引用数:
0
h-index:
0
机构:
Pacific NW Natl Lab, William R Wiley Environm Mol Sci Lab, Richland, WA 99352 USA
Garza, J
;
Friesner, RA
论文数:
0
引用数:
0
h-index:
0
机构:
Pacific NW Natl Lab, William R Wiley Environm Mol Sci Lab, Richland, WA 99352 USA
Friesner, RA
;
Stern, H
论文数:
0
引用数:
0
h-index:
0
机构:
Pacific NW Natl Lab, William R Wiley Environm Mol Sci Lab, Richland, WA 99352 USA
Stern, H
;
Hay, BP
论文数:
0
引用数:
0
h-index:
0
机构:
Pacific NW Natl Lab, William R Wiley Environm Mol Sci Lab, Richland, WA 99352 USA
Hay, BP
;
Dixon, DA
论文数:
0
引用数:
0
h-index:
0
机构:
Pacific NW Natl Lab, William R Wiley Environm Mol Sci Lab, Richland, WA 99352 USA
Dixon, DA
.
JOURNAL OF PHYSICAL CHEMISTRY A,
2001,
105
(20)
:4963
-4968
[8]
Watson TM, 2002, J PHYS CHEM A, V106, P7858, DOI 10.1021/jpO255511
←
1
→