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Dication-water interactions: M(2+)(H2O)(n) clusters for alkaline earth metals M=Mg, Ca, Sr, Ba, and Ra - Comment
被引:6
作者
:
Han, YK
论文数:
0
引用数:
0
h-index:
0
机构:
KUMHO CHEM LABS,TAEJON 305600,SOUTH KOREA
KUMHO CHEM LABS,TAEJON 305600,SOUTH KOREA
Han, YK
[
1
]
Jeong, HY
论文数:
0
引用数:
0
h-index:
0
机构:
KUMHO CHEM LABS,TAEJON 305600,SOUTH KOREA
KUMHO CHEM LABS,TAEJON 305600,SOUTH KOREA
Jeong, HY
[
1
]
机构
:
[1]
KUMHO CHEM LABS,TAEJON 305600,SOUTH KOREA
来源
:
JOURNAL OF PHYSICAL CHEMISTRY
|
1996年
/ 100卷
/ 45期
关键词
:
D O I
:
10.1021/jp9614512
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:18004 / 18005
页数:2
相关论文
共 13 条
[1]
A THEORETICAL-STUDY OF THE POSITIVE AND DIPOSITIVE IONS OF M(NH3)N AND M(H2O)N FOR M=MG, CA, OR SR
[J].
BAUSCHLICHER, CW
论文数:
0
引用数:
0
h-index:
0
机构:
NASA Ames Research Center, Moffett Field
BAUSCHLICHER, CW
;
SODUPE, M
论文数:
0
引用数:
0
h-index:
0
机构:
NASA Ames Research Center, Moffett Field
SODUPE, M
;
PARTRIDGE, H
论文数:
0
引用数:
0
h-index:
0
机构:
NASA Ames Research Center, Moffett Field
PARTRIDGE, H
.
JOURNAL OF CHEMICAL PHYSICS,
1992,
96
(06)
:4453
-4463
[2]
ABINITIO RELATIVISTIC EFFECTIVE POTENTIALS WITH SPIN-ORBIT OPERATORS .6. FR THROUGH PU
[J].
ERMLER, WC
论文数:
0
引用数:
0
h-index:
0
机构:
STEVENS INST TECHNOL LIB,DEPT CHEM,HOBOKEN,NJ 07030
ERMLER, WC
;
ROSS, RB
论文数:
0
引用数:
0
h-index:
0
机构:
STEVENS INST TECHNOL LIB,DEPT CHEM,HOBOKEN,NJ 07030
ROSS, RB
;
CHRISTIANSEN, PA
论文数:
0
引用数:
0
h-index:
0
机构:
STEVENS INST TECHNOL LIB,DEPT CHEM,HOBOKEN,NJ 07030
CHRISTIANSEN, PA
.
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY,
1991,
40
(06)
:829
-846
[3]
Frisch MJ., 1992, GAUSSIAN 92 DFT REVI
[4]
Dication-water interactions: M(2+)(H2O)(n) clusters for alkaline earth metals M=Mg,Ca,Sr,Ba, and Ra
[J].
Glendening, ED
论文数:
0
引用数:
0
h-index:
0
机构:
PACIFIC NW NATL LAB, ENVIRONM MOL SCI LAB, RICHLAND, WA 99352 USA
Glendening, ED
;
Feller, D
论文数:
0
引用数:
0
h-index:
0
机构:
PACIFIC NW NATL LAB, ENVIRONM MOL SCI LAB, RICHLAND, WA 99352 USA
Feller, D
.
JOURNAL OF PHYSICAL CHEMISTRY,
1996,
100
(12)
:4790
-4797
[5]
ABINITIO RELATIVISTIC EFFECTIVE POTENTIALS WITH SPIN-ORBIT OPERATORS .2. K THROUGH KR
[J].
HURLEY, MM
论文数:
0
引用数:
0
h-index:
0
机构:
STEVENS INST TECHNOL,DEPT CHEM & CHEM ENGN,HOBOKEN,NJ 07030
STEVENS INST TECHNOL,DEPT CHEM & CHEM ENGN,HOBOKEN,NJ 07030
HURLEY, MM
;
PACIOS, LF
论文数:
0
引用数:
0
h-index:
0
机构:
STEVENS INST TECHNOL,DEPT CHEM & CHEM ENGN,HOBOKEN,NJ 07030
STEVENS INST TECHNOL,DEPT CHEM & CHEM ENGN,HOBOKEN,NJ 07030
PACIOS, LF
;
CHRISTIANSEN, PA
论文数:
0
引用数:
0
h-index:
0
机构:
STEVENS INST TECHNOL,DEPT CHEM & CHEM ENGN,HOBOKEN,NJ 07030
STEVENS INST TECHNOL,DEPT CHEM & CHEM ENGN,HOBOKEN,NJ 07030
CHRISTIANSEN, PA
;
ROSS, RB
论文数:
0
引用数:
0
h-index:
0
机构:
STEVENS INST TECHNOL,DEPT CHEM & CHEM ENGN,HOBOKEN,NJ 07030
STEVENS INST TECHNOL,DEPT CHEM & CHEM ENGN,HOBOKEN,NJ 07030
ROSS, RB
;
ERMLER, WC
论文数:
0
引用数:
0
h-index:
0
机构:
STEVENS INST TECHNOL,DEPT CHEM & CHEM ENGN,HOBOKEN,NJ 07030
STEVENS INST TECHNOL,DEPT CHEM & CHEM ENGN,HOBOKEN,NJ 07030
ERMLER, WC
.
JOURNAL OF CHEMICAL PHYSICS,
1986,
84
(12)
:6840
-6853
[6]
THE QUESTION OF BENDING OF THE ALKALINE-EARTH DIHALIDES MX2 (M = BE, MG, CA, SR, BA, X = F, CL, BR, I) - AN ABINITIO PSEUDOPOTENTIAL STUDY
[J].
KAUPP, M
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ERLANGEN NURNBERG, INST ORGAN CHEM 1, HENKESTR 42, W-8520 ERLANGEN, GERMANY
KAUPP, M
;
SCHLEYER, PV
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ERLANGEN NURNBERG, INST ORGAN CHEM 1, HENKESTR 42, W-8520 ERLANGEN, GERMANY
SCHLEYER, PV
;
STOLL, H
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ERLANGEN NURNBERG, INST ORGAN CHEM 1, HENKESTR 42, W-8520 ERLANGEN, GERMANY
STOLL, H
;
PREUSS, H
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ERLANGEN NURNBERG, INST ORGAN CHEM 1, HENKESTR 42, W-8520 ERLANGEN, GERMANY
PREUSS, H
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1991,
113
(16)
:6012
-6020
[7]
THE STRUCTURAL VARIATIONS OF MONOMERIC ALKALINE-EARTH MX2 COMPOUNDS (M = CA, SR, BA, X = LI, BEH, BH2, CH3, NH2, OH, F) - AN ABINITIO PSEUDOPOTENTIAL STUDY
[J].
KAUPP, M
论文数:
0
引用数:
0
h-index:
0
机构:
Institut für Organische Chemie I, Friedrich-Alexander Universität, D-8520 Erlangen, Erlangen-Nürnberg
KAUPP, M
;
SCHLEYER, PV
论文数:
0
引用数:
0
h-index:
0
机构:
Institut für Organische Chemie I, Friedrich-Alexander Universität, D-8520 Erlangen, Erlangen-Nürnberg
SCHLEYER, PV
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1992,
114
(02)
:491
-497
[8]
DO LOW-COORDINATED GROUP-1-3 CATIONS M(N+)L(M) (M(N+) = K+, RB+, CS+, CA2+, SR2+, BA2+, SC3+, Y3+, LA3+, L = NH3, H2O, HF, M = 1-3) WITH A FORMAL NOBLE-GAS ELECTRON CONFIGURATION FAVOR REGULAR OR ABNORMAL SHAPES
[J].
KAUPP, M
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ERLANGEN NURNBERG, INST ORGAN CHEM 1, HENKESTR 42, W-8520 ERLANGEN, GERMANY
UNIV ERLANGEN NURNBERG, INST ORGAN CHEM 1, HENKESTR 42, W-8520 ERLANGEN, GERMANY
KAUPP, M
;
SCHLEYER, PV
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ERLANGEN NURNBERG, INST ORGAN CHEM 1, HENKESTR 42, W-8520 ERLANGEN, GERMANY
UNIV ERLANGEN NURNBERG, INST ORGAN CHEM 1, HENKESTR 42, W-8520 ERLANGEN, GERMANY
SCHLEYER, PV
.
JOURNAL OF PHYSICAL CHEMISTRY,
1992,
96
(18)
:7316
-7323
[9]
PSEUDOPOTENTIAL APPROACHES TO CA, SR, AND BA HYDRIDES - WHY ARE SOME ALKALINE-EARTH MX2 COMPOUNDS BENT
[J].
KAUPP, M
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV STUTTGART,INST THEORET CHEM,W-7000 STUTTGART 80,GERMANY
UNIV STUTTGART,INST THEORET CHEM,W-7000 STUTTGART 80,GERMANY
KAUPP, M
;
SCHLEYER, PV
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV STUTTGART,INST THEORET CHEM,W-7000 STUTTGART 80,GERMANY
UNIV STUTTGART,INST THEORET CHEM,W-7000 STUTTGART 80,GERMANY
SCHLEYER, PV
;
STOLL, H
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV STUTTGART,INST THEORET CHEM,W-7000 STUTTGART 80,GERMANY
UNIV STUTTGART,INST THEORET CHEM,W-7000 STUTTGART 80,GERMANY
STOLL, H
;
PREUSS, H
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV STUTTGART,INST THEORET CHEM,W-7000 STUTTGART 80,GERMANY
UNIV STUTTGART,INST THEORET CHEM,W-7000 STUTTGART 80,GERMANY
PREUSS, H
.
JOURNAL OF CHEMICAL PHYSICS,
1991,
94
(02)
:1360
-1366
[10]
ABINITIO RELATIVISTIC EFFECTIVE POTENTIALS WITH SPIN ORBIT OPERATORS .3. RB THROUGH XE
[J].
LAJOHN, LA
论文数:
0
引用数:
0
h-index:
0
机构:
STEVENS INST TECHNOL,DEPT CHEM & CHEM ENGN,HOBOKEN,NJ 07030
STEVENS INST TECHNOL,DEPT CHEM & CHEM ENGN,HOBOKEN,NJ 07030
LAJOHN, LA
;
CHRISTIANSEN, PA
论文数:
0
引用数:
0
h-index:
0
机构:
STEVENS INST TECHNOL,DEPT CHEM & CHEM ENGN,HOBOKEN,NJ 07030
STEVENS INST TECHNOL,DEPT CHEM & CHEM ENGN,HOBOKEN,NJ 07030
CHRISTIANSEN, PA
;
ROSS, RB
论文数:
0
引用数:
0
h-index:
0
机构:
STEVENS INST TECHNOL,DEPT CHEM & CHEM ENGN,HOBOKEN,NJ 07030
STEVENS INST TECHNOL,DEPT CHEM & CHEM ENGN,HOBOKEN,NJ 07030
ROSS, RB
;
ATASHROO, T
论文数:
0
引用数:
0
h-index:
0
机构:
STEVENS INST TECHNOL,DEPT CHEM & CHEM ENGN,HOBOKEN,NJ 07030
STEVENS INST TECHNOL,DEPT CHEM & CHEM ENGN,HOBOKEN,NJ 07030
ATASHROO, T
;
ERMLER, WC
论文数:
0
引用数:
0
h-index:
0
机构:
STEVENS INST TECHNOL,DEPT CHEM & CHEM ENGN,HOBOKEN,NJ 07030
STEVENS INST TECHNOL,DEPT CHEM & CHEM ENGN,HOBOKEN,NJ 07030
ERMLER, WC
.
JOURNAL OF CHEMICAL PHYSICS,
1987,
87
(05)
:2812
-2824
←
1
2
→
共 13 条
[1]
A THEORETICAL-STUDY OF THE POSITIVE AND DIPOSITIVE IONS OF M(NH3)N AND M(H2O)N FOR M=MG, CA, OR SR
[J].
BAUSCHLICHER, CW
论文数:
0
引用数:
0
h-index:
0
机构:
NASA Ames Research Center, Moffett Field
BAUSCHLICHER, CW
;
SODUPE, M
论文数:
0
引用数:
0
h-index:
0
机构:
NASA Ames Research Center, Moffett Field
SODUPE, M
;
PARTRIDGE, H
论文数:
0
引用数:
0
h-index:
0
机构:
NASA Ames Research Center, Moffett Field
PARTRIDGE, H
.
JOURNAL OF CHEMICAL PHYSICS,
1992,
96
(06)
:4453
-4463
[2]
ABINITIO RELATIVISTIC EFFECTIVE POTENTIALS WITH SPIN-ORBIT OPERATORS .6. FR THROUGH PU
[J].
ERMLER, WC
论文数:
0
引用数:
0
h-index:
0
机构:
STEVENS INST TECHNOL LIB,DEPT CHEM,HOBOKEN,NJ 07030
ERMLER, WC
;
ROSS, RB
论文数:
0
引用数:
0
h-index:
0
机构:
STEVENS INST TECHNOL LIB,DEPT CHEM,HOBOKEN,NJ 07030
ROSS, RB
;
CHRISTIANSEN, PA
论文数:
0
引用数:
0
h-index:
0
机构:
STEVENS INST TECHNOL LIB,DEPT CHEM,HOBOKEN,NJ 07030
CHRISTIANSEN, PA
.
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY,
1991,
40
(06)
:829
-846
[3]
Frisch MJ., 1992, GAUSSIAN 92 DFT REVI
[4]
Dication-water interactions: M(2+)(H2O)(n) clusters for alkaline earth metals M=Mg,Ca,Sr,Ba, and Ra
[J].
Glendening, ED
论文数:
0
引用数:
0
h-index:
0
机构:
PACIFIC NW NATL LAB, ENVIRONM MOL SCI LAB, RICHLAND, WA 99352 USA
Glendening, ED
;
Feller, D
论文数:
0
引用数:
0
h-index:
0
机构:
PACIFIC NW NATL LAB, ENVIRONM MOL SCI LAB, RICHLAND, WA 99352 USA
Feller, D
.
JOURNAL OF PHYSICAL CHEMISTRY,
1996,
100
(12)
:4790
-4797
[5]
ABINITIO RELATIVISTIC EFFECTIVE POTENTIALS WITH SPIN-ORBIT OPERATORS .2. K THROUGH KR
[J].
HURLEY, MM
论文数:
0
引用数:
0
h-index:
0
机构:
STEVENS INST TECHNOL,DEPT CHEM & CHEM ENGN,HOBOKEN,NJ 07030
STEVENS INST TECHNOL,DEPT CHEM & CHEM ENGN,HOBOKEN,NJ 07030
HURLEY, MM
;
PACIOS, LF
论文数:
0
引用数:
0
h-index:
0
机构:
STEVENS INST TECHNOL,DEPT CHEM & CHEM ENGN,HOBOKEN,NJ 07030
STEVENS INST TECHNOL,DEPT CHEM & CHEM ENGN,HOBOKEN,NJ 07030
PACIOS, LF
;
CHRISTIANSEN, PA
论文数:
0
引用数:
0
h-index:
0
机构:
STEVENS INST TECHNOL,DEPT CHEM & CHEM ENGN,HOBOKEN,NJ 07030
STEVENS INST TECHNOL,DEPT CHEM & CHEM ENGN,HOBOKEN,NJ 07030
CHRISTIANSEN, PA
;
ROSS, RB
论文数:
0
引用数:
0
h-index:
0
机构:
STEVENS INST TECHNOL,DEPT CHEM & CHEM ENGN,HOBOKEN,NJ 07030
STEVENS INST TECHNOL,DEPT CHEM & CHEM ENGN,HOBOKEN,NJ 07030
ROSS, RB
;
ERMLER, WC
论文数:
0
引用数:
0
h-index:
0
机构:
STEVENS INST TECHNOL,DEPT CHEM & CHEM ENGN,HOBOKEN,NJ 07030
STEVENS INST TECHNOL,DEPT CHEM & CHEM ENGN,HOBOKEN,NJ 07030
ERMLER, WC
.
JOURNAL OF CHEMICAL PHYSICS,
1986,
84
(12)
:6840
-6853
[6]
THE QUESTION OF BENDING OF THE ALKALINE-EARTH DIHALIDES MX2 (M = BE, MG, CA, SR, BA, X = F, CL, BR, I) - AN ABINITIO PSEUDOPOTENTIAL STUDY
[J].
KAUPP, M
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ERLANGEN NURNBERG, INST ORGAN CHEM 1, HENKESTR 42, W-8520 ERLANGEN, GERMANY
KAUPP, M
;
SCHLEYER, PV
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ERLANGEN NURNBERG, INST ORGAN CHEM 1, HENKESTR 42, W-8520 ERLANGEN, GERMANY
SCHLEYER, PV
;
STOLL, H
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ERLANGEN NURNBERG, INST ORGAN CHEM 1, HENKESTR 42, W-8520 ERLANGEN, GERMANY
STOLL, H
;
PREUSS, H
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ERLANGEN NURNBERG, INST ORGAN CHEM 1, HENKESTR 42, W-8520 ERLANGEN, GERMANY
PREUSS, H
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1991,
113
(16)
:6012
-6020
[7]
THE STRUCTURAL VARIATIONS OF MONOMERIC ALKALINE-EARTH MX2 COMPOUNDS (M = CA, SR, BA, X = LI, BEH, BH2, CH3, NH2, OH, F) - AN ABINITIO PSEUDOPOTENTIAL STUDY
[J].
KAUPP, M
论文数:
0
引用数:
0
h-index:
0
机构:
Institut für Organische Chemie I, Friedrich-Alexander Universität, D-8520 Erlangen, Erlangen-Nürnberg
KAUPP, M
;
SCHLEYER, PV
论文数:
0
引用数:
0
h-index:
0
机构:
Institut für Organische Chemie I, Friedrich-Alexander Universität, D-8520 Erlangen, Erlangen-Nürnberg
SCHLEYER, PV
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1992,
114
(02)
:491
-497
[8]
DO LOW-COORDINATED GROUP-1-3 CATIONS M(N+)L(M) (M(N+) = K+, RB+, CS+, CA2+, SR2+, BA2+, SC3+, Y3+, LA3+, L = NH3, H2O, HF, M = 1-3) WITH A FORMAL NOBLE-GAS ELECTRON CONFIGURATION FAVOR REGULAR OR ABNORMAL SHAPES
[J].
KAUPP, M
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ERLANGEN NURNBERG, INST ORGAN CHEM 1, HENKESTR 42, W-8520 ERLANGEN, GERMANY
UNIV ERLANGEN NURNBERG, INST ORGAN CHEM 1, HENKESTR 42, W-8520 ERLANGEN, GERMANY
KAUPP, M
;
SCHLEYER, PV
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ERLANGEN NURNBERG, INST ORGAN CHEM 1, HENKESTR 42, W-8520 ERLANGEN, GERMANY
UNIV ERLANGEN NURNBERG, INST ORGAN CHEM 1, HENKESTR 42, W-8520 ERLANGEN, GERMANY
SCHLEYER, PV
.
JOURNAL OF PHYSICAL CHEMISTRY,
1992,
96
(18)
:7316
-7323
[9]
PSEUDOPOTENTIAL APPROACHES TO CA, SR, AND BA HYDRIDES - WHY ARE SOME ALKALINE-EARTH MX2 COMPOUNDS BENT
[J].
KAUPP, M
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV STUTTGART,INST THEORET CHEM,W-7000 STUTTGART 80,GERMANY
UNIV STUTTGART,INST THEORET CHEM,W-7000 STUTTGART 80,GERMANY
KAUPP, M
;
SCHLEYER, PV
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV STUTTGART,INST THEORET CHEM,W-7000 STUTTGART 80,GERMANY
UNIV STUTTGART,INST THEORET CHEM,W-7000 STUTTGART 80,GERMANY
SCHLEYER, PV
;
STOLL, H
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV STUTTGART,INST THEORET CHEM,W-7000 STUTTGART 80,GERMANY
UNIV STUTTGART,INST THEORET CHEM,W-7000 STUTTGART 80,GERMANY
STOLL, H
;
PREUSS, H
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV STUTTGART,INST THEORET CHEM,W-7000 STUTTGART 80,GERMANY
UNIV STUTTGART,INST THEORET CHEM,W-7000 STUTTGART 80,GERMANY
PREUSS, H
.
JOURNAL OF CHEMICAL PHYSICS,
1991,
94
(02)
:1360
-1366
[10]
ABINITIO RELATIVISTIC EFFECTIVE POTENTIALS WITH SPIN ORBIT OPERATORS .3. RB THROUGH XE
[J].
LAJOHN, LA
论文数:
0
引用数:
0
h-index:
0
机构:
STEVENS INST TECHNOL,DEPT CHEM & CHEM ENGN,HOBOKEN,NJ 07030
STEVENS INST TECHNOL,DEPT CHEM & CHEM ENGN,HOBOKEN,NJ 07030
LAJOHN, LA
;
CHRISTIANSEN, PA
论文数:
0
引用数:
0
h-index:
0
机构:
STEVENS INST TECHNOL,DEPT CHEM & CHEM ENGN,HOBOKEN,NJ 07030
STEVENS INST TECHNOL,DEPT CHEM & CHEM ENGN,HOBOKEN,NJ 07030
CHRISTIANSEN, PA
;
ROSS, RB
论文数:
0
引用数:
0
h-index:
0
机构:
STEVENS INST TECHNOL,DEPT CHEM & CHEM ENGN,HOBOKEN,NJ 07030
STEVENS INST TECHNOL,DEPT CHEM & CHEM ENGN,HOBOKEN,NJ 07030
ROSS, RB
;
ATASHROO, T
论文数:
0
引用数:
0
h-index:
0
机构:
STEVENS INST TECHNOL,DEPT CHEM & CHEM ENGN,HOBOKEN,NJ 07030
STEVENS INST TECHNOL,DEPT CHEM & CHEM ENGN,HOBOKEN,NJ 07030
ATASHROO, T
;
ERMLER, WC
论文数:
0
引用数:
0
h-index:
0
机构:
STEVENS INST TECHNOL,DEPT CHEM & CHEM ENGN,HOBOKEN,NJ 07030
STEVENS INST TECHNOL,DEPT CHEM & CHEM ENGN,HOBOKEN,NJ 07030
ERMLER, WC
.
JOURNAL OF CHEMICAL PHYSICS,
1987,
87
(05)
:2812
-2824
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