K<SUB>2</SUB>CO<SUB>3</SUB> 첨가에 따른 H<SUB>2</SUB>S 제거용 무기계 흡착제의 흡착성능 영향에 관한 연구

장길남(Kil Nam Jang),송영상(Young Sang Song),홍지숙(Ji Sook Hong),유영우(Young-Woo You),황택성(Taek Sung Hwang) 한국청정기술학회 2017 청정기술 Vol.23 No.3

Grasping periodic trend and rate-determining step for S-modified metals of metal sulfides deployable to produce OH via H₂O₂ cleavage

Kim, Jongsik,Choe, Yun Jeong,Kim, Sang Hoon,Lee, Seung-Cheol,Bhattacharjee, Satadeep Elsevier BV 2019 Applied Catalysis B Vol. No.

<P><B>Abstract</B></P> <P>Iron sulfides are fascinating catalytic phases because these include S-modified Fe<SUP>δ+</SUP> (δ ≤ 2) species functioning as H<SUB>2</SUB>O<SUB>2</SUB> activators to form <SUP> </SUP>OH used for oxidatively degrading aqueous contaminants (e.g., phenol). As an initial step for locating S-modified metal species (M<SUP>δ+</SUP>) that outperform Fe<SUP>δ+</SUP> in catalytic H<SUB>2</SUB>O<SUB>2</SUB> cleavage, hexagonal metal sulfides (MS) were synthesized using Mn, Fe, Co, Ni, and Cu to understand electric potential-assisted H<SUB>2</SUB>O<SUB>2</SUB> scission kinetics on M<SUP>δ+</SUP> species. Ni<SUP>δ+</SUP> species were found to show the greatest <SUP> </SUP>OH productivity among all M<SUP>δ+</SUP> species studied, mainly resulting from the Lewis acidic nature of Ni<SUP>δ+</SUP> species adequate to expedite the liberation of <SUP> </SUP>OH species. This was partially evidenced by H<SUB>2</SUB>O<SUB>2</SUB> activation/phenol degradation runs on M<SUP>δ+</SUP> species, wherein initial H<SUB>2</SUB>O<SUB>2</SUB> activation rate (-r<SUB>H2O2,0</SUB>) or initial phenol degradation rate (-r<SUB>PHENOL,0</SUB>) of Ni<SUP>δ+</SUP> species was 3–9 times those of the other M<SUP>δ+</SUP> species. Ni<SUP>δ+</SUP> species, therefore, were located in the middle of the volcano-shaped curve plotting -r<SUB>H2O2,0</SUB> (or -r<SUB>PHENOL,0</SUB>) versus the type of M<SUP>δ+</SUP>. Kinetic assessment of M<SUP>δ+</SUP> species under fine-tuned reaction environments also showed that regardless of varying H<SUB>2</SUB>O<SUB>2</SUB> concentrations, M<SUP>δ+</SUP> species were found to retain their -r<SUB>H2O2,0</SUB> values in the absence of electric potentials. Conversely, M<SUP>δ+</SUP> species could enhance -r<SUB>PHENOL,0</SUB> values at larger electric potentials, where greater energies were likely exerted on M<SUP>δ+</SUP> species. This indeed corroborated that <SUP> </SUP>OH desorption from M<SUP>δ+</SUP> species was the rate-determining step to direct catalytic H<SUB>2</SUB>O<SUB>2</SUB> scission. In addition to heterogeneous catalytic nature of Ni<SUP>δ+</SUP> species in fragmenting H<SUB>2</SUB>O<SUB>2</SUB>, outstanding H<SUB>2</SUB>O<SUB>2</SUB> scission ability provided by Ni<SUP>δ+</SUP> species could also compensate for their moderate catalytic stability at pH-neutral condition.</P> <P><B>Highlights</B></P> <P> <UL> <LI> Metal sulfides (MS) consisting of S-modified Group IV metals such as Mn, Fe, Co, Ni, and Cu. </LI> <LI> Ni<SUP>δ+</SUP> of NiS (δ ≤ 2) with the greatest initial H<SUB>2</SUB>O<SUB>2</SUB> scission rate to produce <SUP> </SUP>OH (-r<SUB>H2O2, 0</SUB>). </LI> <LI> Ni<SUP>δ+</SUP> of NiS located in the center of a volcano-shaped curve plotting –r<SUB>H2O2,0</SUB> versus M<SUP>δ+</SUP>. </LI> <LI> M<SUP>δ+</SUP> of metal sulfides with the rate-determining step of <SUP> </SUP>OH desorption to direct phenol degradation. </LI> <LI> Ni<SUP>δ+</SUP> of NiS with the greatest initial phenol degradation rate with the moderate recyclability. </LI> </UL> </P> <P><B>Graphical abstract</B></P> <P>[DISPLAY OMISSION]</P>

H₂O₃과 물(H₂O) 클러스터들의 분자구조와 열역학적 안정성에 대한 이론적 연구

서현일,김종민,송희성,김승준,Seo, Hyun-il,Kim, Jong-Min,Song, Hui-Sung,Kim, Seung-Joon 대한화학회 2017 대한화학회지 Vol.61 No.6

$H_2O_3(H_2O)_n$ (n=1-5) 클러스터들에 대해서 밀도 범함수 이론(DFT)과 순 이론(ab initio) 방법을 cc-pVD(T)Z 바탕집합(basis set)과 함께 사용하여 가능한 여러 구조를 최적화하고 결합에너지와 조화진동수를 계산하였다. $H_2O_3$ 단량체의 경우 CCSD(T)/ccp-VTZ 이론 수준에서 트랜스(trans) 구조가 시스(cis) 구조보다 더 안정한 것으로 계산되었다. 클러스터에 대해서는 MP2/cc-pVTZ 수준까지 분자 구조를 최적화하고 열역학적으로 가장 안정한 분자구조를 예측하였다. 클러스터의 결합에너지는 CCSD(T)//MP2 수준에서 영점 진동에너지(ZPVE)와 바탕집합 중첩에러(BSSE)를 모두 보정한 후 n=1일 때 -6.39 kcal/mol 계산 되었으며 이 같은 결과는 $H_2O$와 $H_2O_2$의 물 클러스터 보다 더 좋은 수소 주게 즉 산(acid)으로서 작용할 것으로 기대된다. 물 분자 1개 당 평균 결합에너지는 n=2의 경우 8.25 kcal/mol, n=3일 때 7.22 kcal/mol, n=4의 경우 8.50 kcal/mol 그리고 n=5의 경우 8.16 kcal/mol로 계산되었다. The density functional theory(DFT) and ab initio calculations have been applied to investigate hydrogen interaction of $H_2O_3(H_2O)_n$ clusters(n=1-5). The structures, IR spectra, and H-bonding energies are calculated at various levels of theory. The $trans-H_2O_3$ monomer is predicted to be thermodynamically more stable than cis form at the CCSD(T)/cc-pVTZ level of theory. For clusters, the geometries are optimized at the MP2/cc-pVTZ level of theory. The binding energy of $H_2O_3-H_2O$ cluster is predicted to be -6.39 kcal/mol at the CCSD(T)//MP2/cc-pVTZ level of theory after zero-point vibrational energy (ZPVE) and basis set superposition error (BSSE) correction. This result implies that $H_2O_3$ is a stronger proton donor(acid) than either $H_2O$ or $H_2O_2$. The average binding energies per $H_2O$ are predicted to be 8.25 kcal/mol for n=2, 7.22 kcal/mol for n=3, 8.50 kcal/mol for n=4, and 8.16 kcal/mol for n=5.

노인 인구에서 $H_2$ Receptor Antagonist와 위암과의 관련성: 코호트 내 환자-대조군 연구

김윤이,허대석,이승미,윤경은,구혜원,배종면,박병주,Kim, Yoon-I,Heo, Dae-Seog,Lee, Seung-Mi,Youn, Kyoung-Eun,Koo, Hye-Won,Bae, Jong-Myon,Park, Byoung-Joo 대한예방의학회 2002 예방의학회지 Vol.35 No.3

노인에서 $H_2$-RA의 복용과 위암간의 관련성을 밝히기 위한 코호트 내 환자-대조군 연구를 수행하였다. 연구 모집단은 공무원 및 사립학교 교직원을 대상으로 하는 의료보험 관리공단의 피보험자 및 피부양자로서 부산지역에 거주하는 65세 이상의 노인들을 대상으로 구축된 한국노인약물역학코호트의 구성원 중에서 교란변수에 대한 정보 획득을 위해 실시한 설문조사에서 응답한 사람들로 구성된 코호트이었다. $H_2$-RA폭로군은 1993년 1월 1일부터 1994년 12월 31일 사이에 코호트 대상자들이 병원에서 약물을 처방 받아 청구한 자료를 바탕으로 구축한 약물처방 데이터베이스에서 1회 이상 $H_2$-RA를 처방 받은 사람들도 정의하였다. 환자군 76명은 코호트의 위암 환자 확진을 위한 병원방문 조사 자료, 중앙 암등록 자료, 부산 지역 암등록 자료를 이용하여 확인되었다. 대조군은 환자군 확인방법과 동일한 방법을 이용하여 확인하였을 때 암으로 진단받은 병력이 없는 코호트 대상자들 중에서 환자군의 출생 년도와 성별에 따라 1:4의 비율로 개별 짝짓기를 실시하여 뽑은 304명이었다. 잠재적 인 교란변수에 대한 정보는 설문조사를 통해 수집하였다. 조건부 로지스틱 회귀모델을 이용하여 교란변수의 영향을 통제한 상태에서 구한 $H_2$-RA 복용과 위암 발생간의 관련성을 대응비와 95% 신뢰구간으로 제시하였다. 그 결과, 위궤양 증상 여부, 약물 복용력, 체질량 지수의 영향을 통제한 상태에서 $H_2$-RA의 복용은 위암 발생의 위험을 4.6배 증가시키는 것으로 관찰되었다. $H_2$-RA를 7일 이내로 사용한 군은 $H_2$-RA를 사용하지 않은 군에 비해 위암 발생의 위험이 4.6배 증가하는 것으로 관찰되었고 7일 이상 사용한 군은 2.3배 증가하는 것으로 관찰되었다. 투여 경로별로 나누어 보았을 때에는 경구로 투여한 경우에서 유의한 위험 수준의 상승을 관찰하지 못한 반면에 주사로 투여한 경우에서 위험이 4.4배 증가하는 것으로 관찰되었고, 주사와 경구의 두 가지 경로 모두로 $H_2$-RA를 투여 받은 경우 그 위험은 더욱 상승하는 것으로 관찰되었다.시메티딘, 라니티딘, 파모티딘 등의 개별 성분명 별로 위암 발생의 위험에 대한 차이는 관찰되지 않았다. 결론적으로 $H_2$-RA를 사용한 노인에서 사용하지 않은 노인에서 비해 위암 발생의 위험이 더 높아진다는 결론을 얻었으며, 이는 $H_2$-RA투여로 인해 위내에 발생한 무위산증(achlorhydria)이 위암 발생의 위험을 높일 것이라는 기존의 가설을 뒷받침하는 결론이라고 할 수 있었다. Objective : To test if the intake of $H_2$ receptor antagonists ($H_2$-RAs) increases the risk of gastric cancer in the elderly. Methods : The source population for this study was drawn from the responders to a questionnaire survey administered to the Korea Elderly Pharmacoepidemiological Cohort (KEPEC), who were beneficiaries of the Korean Medical Insurance Corporation, were at least 65 years old, and residing in Busan in 1999. The information on $H_2$-RAs exposure was obtained from a drug prescription database compiled between inn. 1993 and Dec. 1994. The cases consisted of 76 gastric cancer patients, as confirmed from the KMIC claims data, the National Cancer Registry and the Busan Cancer Registry. The follow-up period was from Jan. 1993 to Dec. 1998. Cancer free controls were randomly selected by 1:4 individual matching, which took in to consideration the year of birth and gender. Information on confounders was collected by a mail questionnaire survey. The odds ratios, and their 95% confidence intervals, were calculated using a conditional logistic regression model. Results : After adjusting for a history of gastric ulcer symptoms, medication history, and body mass index, the adjusted OR (aOR) was 4.6 (95% CI=1.72-12.49). The odds ratio of long term use (more than 7 days) was 2.3 (95% CI=1.07-4.82). The odds ratio of short term use was 4.6 (95% CI=1.26-16.50). The odds ratio of parenteral use was 4.4 195% CI=1.16-17.05) and combination use between the oral and parenteral routes (aOR, 16.8; 95% CI=1.21-233.24) had the high risk of gastric cancer. The aOR of cimetidine was 1.7 (95% CI=1.04-2.95). The aOR of ranitidine was 2.0 (95% CI=1.21-3.40). The aOR of famotidine was 1.7 (95% CI=0.98-2.80). Conclusion : The intake of $H_2$-RAs might increase the risk of gastric cancer through achlorhydria in the elderly.

Gadolinium-Doped CeO2 Gas Sensor for H2S Sensing

진창현,Sangwoo Kim,김동응,Ali Mirzaei,Jong Wook Roh,최선우,최명식 대한금속·재료학회 2023 대한금속·재료학회지 Vol.61 No.6

Dihydrogen sulfide (H2S) gas has a flammable nature and is one of the most toxic and dangerousgases. Even small concentrations can be fatal to humans. Herein, we investigated the H2S gas-sensingfeatures of commercial pristine cerium oxide (CeO2) and gadolinium (Gd)-doped CeO2 (GDC) nanoparticles. First, the sensing materials were well-characterized using various methods including X-ray photoelectronspectroscopy, transmission electron microscopy and X-ray diffraction to gain insight into their chemicalcomposition, morphology, phases, and crystallinity, respectively. In the next step, gas sensors were fabricatedusing a top electrode (Au/Ti) configuration. Preliminary H2S-gas-sensing studies revealed that GDC gas sensorhad a superior gas response to H2S gas than the pristine CeO2 gas sensor at 350°C. The responses of thepristine CeO2 gas sensor to 20 ppm H2S gas was 1.542, while the response of the GDC gas sensor to theaforementioned H2S concentration was 3.489. In addition, the GDC sensor exhibited good selectivity to H2Sgas among C2H5OH, C7H8 and NH3 gases. Also, we investigated the response of the sensor in up to 60%relative humidity. The enhanced response of the GDC gas sensor to H2S gas was mainly related to theformation of oxygen defects as a result of Gd-doping in CeO2. Also, good selectivity to H2S was related to thesensing temperature, the higher reactivity of H2S relative to other gases and the small bond energy of H-SH. This study demonstrates the promising ability of Gd-doping to enhance the H2S gas-sensing characteristicsof CeO2, which can be applied to other similar systems based on semiconducting metal oxides.

Effect of H2 on Formation Behavior of Carbon Nanotubes

Uoo-Chang Chung* 대한화학회 2004 Bulletin of the Korean Chemical Society Vol.25 No.10

The effect of H2 gas on the carbon nanotubes (CNTs) synthesis with CO-H2 gas mixture was investigated using mass measurements and scanning electron microscopy (SEM). The maximum weight and yield of the synthesized carbon were obtained when the mixture ratio of H2 : CO was 3 : 7 and 9 : 1, respectively. In case of 100% carbon monoxide (CO) without hydrogen (H2) addition, the weight of carbon increased, but CNTs were not observed. The CNTs began to be made when the contents of H2 reaches at least 10%, their structures became more distinct with an increase of H2 addition, and then the shapes of CNTs were more thin and straight. When the contents of H2 was 80% (H2 : CO = 8 : 2), the shapes and growth of CNTs showed an optimal condition. On the other hand, when the contents of H2 was higher than the critical value, the shapes of CNTs became worse due to transition into inactive surface of catalyst. It was considered that the inactive surface of catalyst resulted from decrease of carbon (C) and H2 concentration by facilitation of methane (CH4) gasification reaction (C + 2H2 → CH4) between C and H2 gases. It was also found that H2 addition had an influence considerably on the shape and structure of CNTs.

서울말 /ᅩ/와 /ᅮ/의 지각특성

변희경(Hi-Gyung Byun) 한국음성학회 2020 말소리와 음성과학 Vol.12 No.3

서울말의 ᅩ/ᅮ가 모음 공간에서 융합하는 변화가 진행되고 있는 것이 많은 연구들에 의해 지적되어 왔다. 한편 ᅩ/ᅮ의 중복이 현저한 여성의 발화에서는 포먼트 대신 모음의 음질 (H1-H2)이 ᅩ/ᅮ를 구별하고 있는 것이 확인되었다. 본 고의 목적은 생성에 보이는 ᅩ/ᅮ 간의 H1-H2 차이가 지각에서도 유효한지를 확인하는 것이다. 지각에서도 H1-H2가 유효하게 기능하고 있다면 포먼트만으로는 설명이 어려운 여성의 ᅩ/ᅮ를 생성과 지각 모두에서 H1-H2로 정연하게 설명할 수 있을 것이다. 서울, 경기 출신의 대학생 35명을 대상으로 서울말 모어 화자가 단독발화한 "오"와 "우"를 사용하여 지각실험을 실시하였다. 자극음은 모두 여성의 발화로 모음 공간에서 상당한 중복을 보이는 182예이다. 생성과 지각의 관계를 보기 위해 자극음의 음향분석도 실시하였다. 정답률(바르게 지각한 동정률)은 평균 89%로 /ᅩ/가 86% (n=88), /ᅮ/가 91% (n=94)였다. 자극음의 음향분석에서 포먼트로 구별이 어려운 ᅩ/ᅮ의 경우 H1-H2가 유의하게 작용하고 있는 것이 확인되었다. 그러나 ᅩ/ᅮ의 지각에 H1-H2의 영향력은 매우 미미하며 ᅩ/ᅮ의 구별에는 남녀 모두 포먼트가 결정적인 역할을 하는 것으로 나타났다. 생성에서 H1-H2로 ᅩ/ᅮ를 구별하는 것은 여성의 발화로, 남성의 발화에서는 H1-H2가 아닌 포먼트로 구별된다. 남성의 발화에서도 H1-H2 차이가 ᅩ/ᅮ의 구별에 쓰인다면 지각에 있어서도 H1-H2가 주된 지각특성이 될 수도 있겠지만 적어도 현 단계에서 ᅩ/ᅮ의 지각에 H1-H2의 사용은 남녀 모두 아직 도입되지 않은 것으로 보인다. Previous studies have confirmed that /o/ and /u/ in Seoul Korean are undergoing a merger in the F1/F2 space, especially for female speakers. As a substitute parameter for formants, it is reported that female speakers use phonation (H1-H2) differences to distinguish /o/ from /u/. This study aimed to explore whether H1-H2 values are being used as perceptual cues for /o/-/u/. A perception test was conducted with 35 college students using /o/ and /u/ spoken by 41 females, which overlap considerably in the vowel space. An acoustic analysis of 182 stimuli was also conducted to see if there is any correspondence between production and perception. The identification rate was 89% on average, 86% for /o/, and 91% for /u/. The results confirmed that when /o/ and /u/ cannot be distinguished in the F1/F2 space because they are too close, H1-H2 differences contribute significantly to the separation of the two vowels. However, in perception, this was not the case. H1-H2 values were not significantly involved in the identification process, and the formants (especially F2) were still dominant cues. The study also showed that even though H1-H2 differences are apparent in females" production, males do not use H1-H2 in their production, and both females and males do not use H1-H2 in their perception. It is presumed that H1-H2 has not yet been developed as a perceptual cue for /o/ and /u/.

3GPP LTE-A 시스템에서 M2M 서비스를 위한 우선순위 기반 임의접속제어

김남선(Nam-Sun Kim) 한국정보전자통신기술학회 2019 한국정보전자통신기술학회논문지 Vol.12 No.4

본 연구에서는 H2H와 M2M 서비스가 공존하는 LTE-A 시스템에서 유사한 지연특성을 갖는 서비스들을 3개의 클래스로 분류하고 우선순위에 따라 무선자원을 할당하는 2가지 알고리즘을 제시한다. 첫 번째는 높은 우선순위의 클래스에서 낮은 순위의 클래스로 자원을 할당하며, 각 클래스에서는 M2M보다 H2H에 우선권을 주는 알고리즘이며, 두 번째는 가장 높은 우선순위의 클래스를 제외하고 나머지 클래스에서는 지연특성에 상관없이 H2H에 우선순위를 주는 방법이다. 각 클래스에서 M2M 기기들의 접속률(α)에 따라 임의접속 성공확률을 분석하였다. 기존시스템과의 비교에서, 2개 클래스(4개의 서비스)에 α2M=0.05인 경우 0.5에서 0.52로 향상되었다. 3개의 클래스에서, α2M=α3M=1인 경우에는 0.5에서 0.57로, α2M=0.5, α3M=0.1인 경우에는 0.5에서 0.58로 성공확률이 약간 증가함을 알 수 있었다. 또한 제안된 두 알고리즘의 성능은 거의 동일했다. 이것은 제안된 방식에서 최대 6개의 서비스를 고려했지만, 각 클래스의 H2H의 평균 유입률을 동일하게 설정했기 때문에 임의접속 성공확률은 기존 방식과 거의 유사한 결과가 얻어졌음을 알 수 있다. In this paper, we propose two algorithms for classifying services with similar delay characteristics into three classes and allocating radio resources according to priority in LTE-A system where H2H and M2M services coexist. The first is to allocate resources from the higher priority class to the lower priority class, and each class gives priority to H2H over M2M, and the other is to give priority to H2H regardless of delay characteristics except for the class with the highest priority. The RA success probability was analyzed according to the access rate(α) of M2M devices in each class. In comparison with the conventional systems, it was improved from 0.5 to 0.52 for α2M=0.05 in two classes. In the three classes, the success probability was slightly increased from 0.5 to 0.57 for α2M=α3M=1 and from 0.5 to 0.58 for α2M=0.5 and α3M=0.1. Although 6 services are considered in the proposed scheme, the RA success probability is almost similar to the previous scheme because the average arrival rate of H2H of each class is set to the same.

MAPK Activation and Cell Viability after $H_2O_2$ Stimulation in Cultured Feline Ileal Smooth Muscle Cells

Song, Hyun-Ju,Jeong, Ji-Hoon,Lee, Dong-Kyu,Lee, Tai-Sang,Min, Young-Sil,Sohn, Uy-Dong The Korean Society of Pharmacology 2004 The Korean Journal of Physiology & Pharmacology Vol.8 No.6

Recent data have shown the importance of oxidative stresses in the pathogenesis of inflammatory bowel disease, crohn's disease and ulcerative colitis. $H_2O_2$, reactive oxygen species (ROS) donor, has been reported to act as a signaling molecule involved in a variety of cellular functions such as apo/ptosis and proliferation. In the present study, we investigated viability of cultured ileal smooth muscle cells (ISMC) after stimulation with $H_2O_2$. Trypan blue method revealed that the cell viability of ISMC treated with 1 mM $H_2O_2$ was not different from that of controls at up to 2 h time point, while treatment of ISMC with 1 mM $H_2O_2$ for 48 h finally induced significant decrease in the cell viability. Therefore, we evaluated whether $H_2O_2$ was capable of ERKs activation in ISMC for the short-term exposure and examined whether tyrosine kinase was involved in the process of ERK activation by $H_2O_2$ in ISMC. We also investigated the effects of $H_2O_2$ on activation of SAPK/JNK and p38 MAP kinase in ISMC. Thus, ISMC were cultured and exposed to $H_2O_2$, and western blot analysis was performed with phosphospecific MAP kinase antibodies. Robust activation of ERK occurred within 30 min of 1 mM $H_2O_2$ treatment. $H_2O_2-induced$ ERK activation was attenuated by a tyrosine kinase inhibitor, genistein, indicating that tyrosine kinase was probably involved in the ERK activation by $H_2O_2$. $H_2O_2$ was a moderate activator of SAPK/JNK, while p38 MAP kinase was not activated by $H_2O_2$. We suggest that ERK activation induced by short-term $H_2O_2$ treatment plays a critical role in cellular protection in the early stage of response to oxidative stress. The present study suggests the necessity of identification of MAPK signaling pathways affected by ROS, since it could ultimately elucidate cellular consequences involved in initiation and perpetuation of intestinal tissue damage in the diseases such as crohn's disease and ulcerative colitis, resulted from excessive ROS.

H₂O_n-H₂O_m (n=1-4, m=1-4) 이중합체의 수소결합에 따른 구조적 특성 및 결합에너지에 관한 이론 연구

송희성,서현일,신창호,김승준,Song, Hui-Seong,Seo, Hyun-Il,Shin, Chang-Ho,Kim, Seung-Joon 대한화학회 2015 대한화학회지 Vol.59 No.2

Hydrogen polyoxide, $H_2O_n-H_2O_m$(n=1-4, m=1-4) 이중합체(dimer)의 분자 구조 변화에 따른 수소결합(H-bonding) 효과를 순 이론적(ab initio) 방법과 밀도 범함수 이론(DFT)으로 계산하였다. 분자 구조는 B3LYP, CAM-B3LYP, MP2의 양자역학적 방법들을 사용하여 최적화하였으며, 진동주파수를 계산하여 최저에너지(true local minimum) 구조인 것을 확인하였다. 보다 정확한 수소결합 에너지(${\Delta}E$) 계산을 위하여 CCSD(T) 이론수준에서 한 점(single-point) 에너지 계산을 하였으며, 영점 진동에너지(ZPVE) 보정과 바탕집합 중첩에러(BSSE) 보정을 하였다. CCSD(T)/cc-pVTZ 이론 수준에서 $H_2O_4-H_2O_3$이 8.18 kcal/mol로 가장 강한 결합을 나타내었으며, 물 이중합체($H_2O-H_2O$)는 3.00 kcal/mol로 가장 약한 결합에너지를 나타내었다. The DFT and ab initio calculations have been performed to elucidate hydrogen interaction of hydrogen polyoxide dimers, $H_2O_n-H_2O_m$ (n=1-4, m=1-4). The optimized geometries, harmonic vibrational frequencies, and binding energies are predicted at various levels of theory. The harmonic vibrational frequencies of the molecules considered in this study show all real numbers implying true minima. The higher-order correlation effect were discussed to compare MP2 result with CCSD(T) single point energy. The binding energies were corrected for the zero-point vibrational energy (ZPVE) and basis set superposition errors (BSSE). The largest binding energy predicted at the CCSD(T)/cc-pVTZ level of theory is 8.18 kcal/mol for $H_2O_4-H_2O_3$ and the binding energy of water dimer is predicted to be 3.00 kcal/mol.