THEORETICAL CHEMISTRY COMES ALIVE - FULL PARTNER WITH EXPERIMENT

被引：123
作者：
GODDARD, WA
机构：
来源：
SCIENCE | 1985年 / 227卷 / 4689期
关键词：
D O I：
10.1126/science.227.4689.917
中图分类号：
O [数理科学和化学]; P [天文学、地球科学]; Q [生物科学]; N [自然科学总论];
学科分类号：
07 ; 0710 ; 09 ;
摘要：
引用
收藏
页码：917 / 923
页数：7
相关论文
共 73 条
[1]  
ALLISON JN, J CATAL
[2]   EFFECT OF OXYGEN ON METATHESIS OF CIS-2-PENTENE BY A BINARY CATALYST SYSTEM OF W(CO)5P(C6H5)3 AND (C2H5)ALCL2 [J].
BASSET, JM ;
COUDURIE.G ;
MUTIN, R ;
PRALIAUD, H ;
TRAMBOUZ.Y .
JOURNAL OF CATALYSIS, 1974, 34 (02) :196-202
[3]   ACCURATE ABINITIO CALCULATIONS ON SINGLET-TRIPLET SEPARATION IN METHYLENE [J].
BAUSCHLICHER, CW ;
SHAVITT, I .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1978, 100 (03) :739-743
[4]   SINGLET-TRIPLET ENERGY SEPARATION, WALSH-MULLIKEN DIAGRAMS, AND SINGLET D-POLARIZATION EFFECTS IN METHYLENE [J].
BENDER, CF ;
ALLEN, LC ;
SCHAEFER, HF ;
FRANCESC.DR .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1972, 94 (20) :6888-+
[5]   NEW THEORETICAL EVIDENCE FOR NONLINEARITY OF TRIPLET GROUND STATE OF METHYLENE [J].
BENDER, CF ;
SCHAEFER, HF .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1970, 92 (16) :4984-+
[6]   ELECTRON PARAMAGNETIC RESONANCE OF TRIPLET CH2 [J].
BERNHEIM, RA ;
BERNARD, HW ;
WANG, PS ;
WOOD, LS ;
SKELL, PS .
JOURNAL OF CHEMICAL PHYSICS, 1970, 53 (03) :1280-&
[7]   A REFINED POTENTIAL SURFACE FOR THE X3B1 ELECTRONIC STATE OF METHYLENE CH2 [J].
BUNKER, PR ;
JENSEN, P .
JOURNAL OF CHEMICAL PHYSICS, 1983, 79 (03) :1224-1228
[8]   MECHANISM OF NITROGEN INSERTION IN AMMOXIDATION CATALYSIS [J].
BURRINGTON, JD ;
KARTISEK, CT ;
GRASSELLI, RK .
JOURNAL OF CATALYSIS, 1983, 81 (02) :489-498
[9]  
CALDERON N, 1979, ADV ORGANOMET CHEM, V17, P449
[10]   CHEMICAL EVIDENCE FOR A SMALL CH2(1A1)-CH2(3SIGMAG-) ELECTRONIC TERM DIFFERENCE [J].
CARR, RW ;
EDER, TW ;
TOPOR, MG .
JOURNAL OF CHEMICAL PHYSICS, 1970, 53 (12) :4716-&
12345678